SCHEMBL298527

SCHEMBL298527

O=C(c1cccc([N+](=O)[O-])c1)c1c[nH]c2ncccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.56
NEK2 P51955 2/20 0.53
XDH P47989 1/20 0.51
MAP2K1 Q02750 1/20 0.49
KDR P35968 1/20 0.48
RAB9A P51151 1/20 0.48
KDM4E B2RXH2 4/20 0.48
HTT P42858 2/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
LMNA P02545 2/20 0.47
ALOX12 P18054 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HSP90AA1 P07900 1/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
ALDH1A1 P00352 4/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
TP53 P04637 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL858135 0.86 MAP2K1 (0.52) METNEK2MAP2K1KDRL3MBTL1
SCHEMBL856725 0.84 NEK1 (0.52) XDHRAB9AKDM4EHTTLMNA
SCHEMBL299080 0.83 XDH (0.48) XDHRAB9ASMN1; SMN2CES2CES1
SCHEMBL21624518 0.83 KMT2A (0.49) XDHKDRRAB9ATDP1SMN1; SMN2
SCHEMBL1364175 0.81 MET (0.48) METNEK2MAP2K1KDRRAB9A
SCHEMBL857368 0.81 KMT2A (0.55) METMAP2K1RAB9AKDM4EHTT
SCHEMBL857000 0.81 NEK2 (0.58) NEK2MAP2K1KDRRAB9AKMT2A
SCHEMBL298453 0.80 AAK1 (0.49) XDHRAB9AHTTLMNASMN1; SMN2
SCHEMBL6940654 0.80 MAPT (0.57) METXDHRAB9AKDM4ELMNA
SCHEMBL858554 0.80 NEK2 (0.57) NEK2MAP2K1KDRRAB9AHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12559489-B2 Antagonistic small molecule compound having toll-like receptor 7/9 inhibitory function AJOU UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2026-02-24 US disclosed
US-20230339935-A1 ANTAGONISTIC SMALL MOLECULE COMPOUND HAVING TOLL-LIKE RECEPTOR 7/9 INHIBITORY FUNCTION AJOU UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2023-10-26 US disclosed
US-20230339935-A1 ANTAGONISTIC SMALL MOLECULE COMPOUND HAVING TOLL-LIKE RECEPTOR 7/9 INHIBITORY FUNCTION AJOU UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2023-10-26 US disclosed
US-20230339935-A1 ANTAGONISTIC SMALL MOLECULE COMPOUND HAVING TOLL-LIKE RECEPTOR 7/9 INHIBITORY FUNCTION AJOU UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2023-10-26 US disclosed
EP-4166554-A1 ANTAGONISTIC SMALL MOLECULE COMPOUND HAVING TOLL-LIKE RECEPTOR 7/9 INHIBITORY FUNCTION Ajou University Industry-Academic Cooperation Foundation (KR) 2023-04-19 EP disclosed
WO-2021225365-A1 ANTAGONISTIC SMALL MOLECULE COMPOUND HAVING TOLL-LIKE RECEPTOR 7/9 INHIBITORY FUNCTION 아주대학교산학협력단 (KR) 2021-11-11 WO disclosed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2016-06-23 US disclosed
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2015-10-15 US disclosed
US-8778977-B2 Pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2014-07-15 US disclosed
US-7863288-B2 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON, INC. (US) 2011-01-04 US disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 WO disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 WO disclosed
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2010-10-07 US disclosed
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2010-10-07 US disclosed
US-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON INC. 2010-09-30 US disclosed
US-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON INC. 2010-09-30 US disclosed
US-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHAMACEUTICALS (US) 2010-06-10 US disclosed
US-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHAMACEUTICALS (US) 2010-06-10 US disclosed
WO-2007002433-A1 PYRROLO [2, 3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents MAP4K1, MAP4K2, MAP3K1 MET 630/4885NEK2 325/4885XDH 2782/4885
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 MET 556/4885NEK2 162/4885XDH 2322/4885
US-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS PDK1, PDK2, PDK3 MET 1207/4885NEK2 411/4885XDH 2599/4885
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 MET 556/4885NEK2 162/4885XDH 2322/4885
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 MET 556/4885NEK2 162/4885XDH 2322/4885
US-12559489-B2 Antagonistic small molecule compound having toll-like receptor 7/9 inhibitory function TLR9, TLR7, TLR1 MET 356/4885NEK2 2148/4885XDH 2282/4885
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 MET 556/4885NEK2 162/4885XDH 2322/4885
US-20230339935-A1 ANTAGONISTIC SMALL MOLECULE COMPOUND HAVING TOLL-LIKE RECEPTOR 7/9 INHIBITORY FUNCTION TLR9, TLR7, TLR1 MET 1430/4885NEK2 2828/4885XDH 3373/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.