SCHEMBL878719

SCHEMBL878719

O=C(c1ccccc1)c1c[nH]c2ncccc12

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.61
NEK2 P51955 2/20 0.55
ADORA2A P29274 1/20 0.54
CAMKK2 Q96RR4 2/20 0.54
MET P08581 2/20 0.51
CCNE1 P24864 1/20 0.50
CDK2 P24941 1/20 0.50
AAK1 Q2M2I8 1/20 0.50
CNR2 P34972 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
GPR84 Q9NQS5 1/20 0.50
KDR P35968 1/20 0.49
KMT2A Q03164 1/20 0.47
AXL P30530 1/20 0.47
ROCK1 Q13464 1/20 0.47
LATS1 O95835 1/20 0.46
LATS2 Q9NRM7 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
SCHEMBL27708260 0.89 MAP2K1 (0.71) MAP2K1NEK2ADORA2ACAMKK2CCNE1
SCHEMBL12772764 0.88 MAP2K1 (0.58) MAP2K1NEK2ADORA2ACAMKK2CCNE1
SCHEMBL878925 0.88 KIF20A (0.59) MAP2K1NEK2ADORA2ACAMKK2CCNE1
SCHEMBL2984625 0.87 MAP2K1 (0.61) MAP2K1NEK2ADORA2ACAMKK2CNR2
SCHEMBL29468201 0.85 MAP2K1 (0.71) MAP2K1ADORA2ACAMKK2METCCNE1
SCHEMBL985214 0.85 MAP2K1 (0.71) MAP2K1ADORA2ACAMKK2METCCNE1
SCHEMBL8387910 0.84 MAP2K1 (0.55) MAP2K1NEK2ADORA2ACAMKK2MET
SCHEMBL857000 0.84 NEK2 (0.58) MAP2K1NEK2ADORA2ACAMKK2CCNE1
SCHEMBL411058 0.84 NEK2 (0.53) MAP2K1NEK2KDRKMT2AROCK1
Hydrochloric Acid SCHEMBL3608101 0.83 MAP2K1 (0.69) MAP2K1ADORA2ACAMKK2METCCNE1

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 63 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 claimed
US-7872016-B2 Method for treating skeletal disorders resulting from FGFR malfunction YALE UNIVERSITY (US) 2011-01-18 US claimed
EP-1773305-A2 METHOD FOR TREATING SKELETAL DISORDERS RESULTING FROM FGFR MALFUNCTION Yale University Corporation (US) 2007-04-18 EP claimed
US-20070066641-A1 Compounds and methods for development of RET modulators PLEXXIKON, INC. 2007-03-22 US claimed
WO-2005115363-A9 METHOD FOR TREATING SKELETAL DISORDERS RESULTING FROM FGFR MALFUNCTION UNIV YALE (US) 2006-04-20 WO claimed
WO-2005115363-A2 METHOD FOR TREATING SKELETAL DISORDERS RESULTING FROM FGFR MALFUNCTION YALE UNIVERSITY (US) 2005-12-08 WO claimed
CN-114981267-B 3-Benzoyl-1H-pyrrolo [2,3-B ] pyridine derivatives as MKK4 inhibitors for the treatment of liver diseases 海帕瑞吉尼克斯股份有限公司 2024-11-08 CN disclosed
CN-114981267-B 3-Benzoyl-1H-pyrrolo [2,3-B ] pyridine derivatives as MKK4 inhibitors for the treatment of liver diseases 海帕瑞吉尼克斯股份有限公司 2024-11-08 CN disclosed
EP-4090659-C0 3-BENZOYL-1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS MKK4 INHIBITORS FOR TREATING LIVER DISEASES HEPAREGENIX GMBH (DE) 2024-06-12 EP disclosed
EP-4090659-B1 3-BENZOYL-1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS MKK4 INHIBITORS FOR TREATING LIVER DISEASES HEPAREGENIX GMBH (DE) 2024-06-12 EP 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-20230088395-A1 3-BENZOYL-1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS MKK4 INHIBITORS FOR TREATING LIVER DISEASES HEPAREGENIX GMBH (DE) 2023-03-23 US disclosed
US-20070049615-A1 Compounds and methods for development of Ret modulators PLEXXIKON, INC. 2007-03-01 US disclosed
US-20070049615-A1 Compounds and methods for development of Ret modulators PLEXXIKON, INC. 2007-03-01 US disclosed
WO-2007002433-A1 PYRROLO [2, 3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 WO disclosed
EP-1696920-A2 COMPOUNDS AND METHODS FOR DEVELOPMENT OF RET MODULATORS PLEXXIKON, INC. (US) 2006-09-06 EP disclosed
WO-2005115363-A9 METHOD FOR TREATING SKELETAL DISORDERS RESULTING FROM FGFR MALFUNCTION UNIV YALE (US) 2006-04-20 WO disclosed
WO-2005115363-A2 METHOD FOR TREATING SKELETAL DISORDERS RESULTING FROM FGFR MALFUNCTION YALE UNIVERSITY (US) 2005-12-08 WO disclosed
WO-2005062795-A2 COMPOUNDS AND METHODS FOR DEVELOPMENT OF RET MODULATORS PLEXXIKON, INC. (US) 2005-07-14 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 (5 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-20070066641-A1 Compounds and methods for development of RET modulators RET, FGFR1, FGFR3 MAP2K1 2201/4885NEK2 1496/4885ADORA2A 3358/4885
US-12559489-B2 Antagonistic small molecule compound having toll-like receptor 7/9 inhibitory function TLR9, TLR7, TLR1 MAP2K1 69/4885NEK2 2148/4885ADORA2A 2158/4885
US-20230339935-A1 ANTAGONISTIC SMALL MOLECULE COMPOUND HAVING TOLL-LIKE RECEPTOR 7/9 INHIBITORY FUNCTION TLR9, TLR7, TLR1 MAP2K1 569/4885NEK2 2828/4885ADORA2A 2010/4885
US-20230088395-A1 3-BENZOYL-1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS MKK4 INHIBITORS FOR TREATING LIVER DISEASES NR1H4, MAPK4, NR1H2 MAP2K1 71/4885NEK2 1115/4885ADORA2A 4043/4885
US-20070049615-A1 Compounds and methods for development of Ret modulators RET, GFRA1, GFRA3 MAP2K1 3057/4885NEK2 1178/4885ADORA2A 2278/4885

“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.