SCHEMBL434046

SCHEMBL434046

O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCC1

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.74
ALDH1A1 P00352 3/20 0.74
GAA P10253 2/20 0.74
NPC1 O15118 2/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
LMNA P02545 1/20 0.74
MEN1 O00255 6/20 0.73
KMT2A Q03164 6/20 0.73
POLB P06746 3/20 0.63
MAPT P10636 3/20 0.63
HTT P42858 3/20 0.63
DDX3X O00571 1/20 0.63
CTDSP1 Q9GZU7 1/20 0.63
RECQL P46063 2/20 0.63
CYP1A2 P05177 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C19 P33261 1/20 0.63
ATM Q13315 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
MAPK1 P28482 1/20 0.57

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
SCHEMBL12694371 0.88 POLB (0.75) RAB9AALDH1A1GAANPC1SMN1; SMN2
SCHEMBL32660717 0.88 MEN1 (0.68) RAB9AALDH1A1GAANPC1SMN1; SMN2
SCHEMBL8392068 0.84 NPC1 (0.68) RAB9AALDH1A1GAANPC1SMN1; SMN2
SCHEMBL7535258 0.84 MEN1 (0.67) RAB9AALDH1A1GAANPC1SMN1; SMN2
SCHEMBL14574134 0.82 GAA (0.97) RAB9AALDH1A1GAANPC1SMN1; SMN2
SCHEMBL32660723 0.81 KMT2A (0.64) RAB9AALDH1A1GAANPC1SMN1; SMN2
SCHEMBL31680513 0.81 SMN1; SMN2 (0.64) RAB9AALDH1A1GAANPC1SMN1; SMN2
SCHEMBL9435700 0.81 GAA (1.00) RAB9AALDH1A1GAANPC1SMN1; SMN2
SCHEMBL13148042 0.81 CYP3A4 (0.65) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL14574151 0.80 KMT2A (0.58) RAB9AALDH1A1GAANPC1SMN1; SMN2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4656249-A2 PYRAZOLOPYRIMIDINE DERIVATIVES AS KINASE INHIBITOR Daewoong Pharmaceutical Co., Ltd. (KR) 2025-12-03 EP disclosed
EP-3478687-B1 PYRAZOLOPYRIMIDINE DERIVATIVES AS KINASE INHIBITOR DAEWOONG PHARMACEUTICAL CO LTD (KR) 2024-03-20 EP disclosed
EP-3950691-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS KINASE INHIBITOR Daewoong Pharmaceutical Co., Ltd. (KR) 2022-02-09 EP disclosed
CN-109311896-B Pyrazolopyrimidine derivatives as kinase inhibitors 株式会社大熊制药 2021-08-24 CN disclosed
CN-113135920-A Pyrazolopyrimidine derivatives as kinase inhibitors 株式会社大熊制药 2021-07-20 CN disclosed
US-10961247-B2 Pyrazolopyrimidine derivatives as kinase inhibitor DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2021-03-30 US disclosed
US-20200317673-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS KINASE INHIBITOR DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2020-10-08 US disclosed
EP-3478687-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS KINASE INHIBITOR Daewoong Pharmaceutical Co., Ltd. (KR) 2019-05-08 EP disclosed
WO-2018004306-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS KINASE INHIBITOR DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2018-01-04 WO disclosed
US-8962609-B2 Pyrimidine compounds as inhibitors of protein kinases IKK epsilon and/or TBK-1, processes for their preparation, and pharmaceutical compositions containing them DOMAINEX LIMITED (GB) 2015-02-24 US disclosed
US-20130267491-A1 PYRIMIDINE COMPOUNDS AS INHIBITORS OF PROTEIN KINASES IKK EPSILON AND/OR TBK-1, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMAINEX LIMITED (GB) 2013-10-10 US disclosed
WO-2012010826-A1 PYRIMIDINE COMPOUNDS AS INHIBITORS OF PROTEIN KINASES IKK EPSILON AND/OR TBK-1, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMAINEX LIMITED (GB) 2012-01-26 WO disclosed
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
WO-2009122180-A1 PYRIMIDINE DERIVATIVES CAPABLE OF INHIBITING ONE OR MORE KINASES MEDICAL RESEARCH COUNCIL (GB) 2009-10-08 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 (4 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-20200317673-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS KINASE INHIBITOR MAP3K5, MAP3K2, MAPKAPK5 RAB9A 2113/4885ALDH1A1 1963/4885GAA 1395/4885
US-20100056524-A1 Compound NR3C2, NR3C1, NR2E3 RAB9A 3551/4885ALDH1A1 2440/4885GAA 4531/4885
US-10961247-B2 Pyrazolopyrimidine derivatives as kinase inhibitor MAP3K5, MAP3K2, MAPKAPK5 RAB9A 2113/4885ALDH1A1 1963/4885GAA 1395/4885
US-20130267491-A1 PYRIMIDINE COMPOUNDS AS INHIBITORS OF PROTEIN KINASES IKK EPSILON AND/OR TBK-1, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CHUK, IKBKE, TBKBP1 RAB9A 1419/4885ALDH1A1 4264/4885GAA 3112/4885

“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.