SCHEMBL694559

SCHEMBL694559

c1ccc2c(c1)cnc1cn[nH]c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
GPR3 P46089 1/20 0.53
HSD17B10 Q99714 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 1/20 0.48
PARP1 P09874 1/20 0.48
PRKCI P41743 1/20 0.48
PDE4B Q07343 1/20 0.48
METAP2 P50579 1/20 0.43
HSP90AA1 P07900 1/20 0.41
IDO1 P14902 1/20 0.41
CDK2 P24941 1/20 0.41
NOS1 P29475 3/20 0.40
PIM1 P11309 2/20 0.38
PIM3 Q86V86 1/20 0.38
ABCB1 P08183 1/20 0.36
MAPT P10636 2/20 0.36
RECQL P46063 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL27215992 0.78 MAPK10 (0.40) KDM4EGPR3ALDH1A1METAP2NOS1
SCHEMBL29479307 0.77 KDM4E (0.53) KDM4EGPR3HSD17B10TDP1MAPK1
SCHEMBL325731 0.77 KDM4E (0.53) KDM4EGPR3HSD17B10TDP1MAPK1
Hydrochloric Acid SCHEMBL30345228 0.76 KDM4E (0.52) KDM4EGPR3HSD17B10TDP1MAPK1
SCHEMBL276444 0.74 HSD17B10 (0.53) KDM4EHSD17B10TDP1MAPK1ALDH1A1
SCHEMBL29666517 0.73 KDM4E (0.53) KDM4EGPR3HSD17B10TDP1MAPK1
SCHEMBL30345223 0.72 GPR3 (0.52) KDM4EGPR3HSD17B10TDP1MAPK1
SCHEMBL694816 0.72 RIPK1 (0.39) METAP2
SCHEMBL695375 0.71 MGAM (0.43) KDM4ETDP1PARP1METAP2HSP90AA1
SCHEMBL5569363 0.71 MAPK1 (0.55) KDM4EGPR3HSD17B10TDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250026722-A1 SUBSTITUTED QUINOLINES AS IMPROVED NF-KB-INDUCING KINASE (NIK) INHIBITORS Université Côte d’Azur (FR) 2025-01-23 US disclosed
EP-4399202-A1 SUBSTITUTED QUINOLINES AS IMPROVED NF-KB-INDUCING KINASE (NIK) INHIBITORS Yukin Therapeutics (FR) 2024-07-17 EP disclosed
WO-2023072962-A1 SUBSTITUTED QUINOLINES AS IMPROVED NF-KB-INDUCING KINASE (NIK) INHIBITORS Yukin Therapeutics (FR) 2023-05-04 WO disclosed
EP-4169904-A1 SUBSTITUTED QUINOLINES AS IMPROVED NF-KB-INDUCING KINASE (NIK) INHIBITORS Yukin Therapeutics (FR) 2023-04-26 EP disclosed
CN-102459260-B 1-pyrazolo[4,3-c]isoquinoline derivatives, preparation thereof and therapeutic use thereof SANOFI AVENTIS 2015-06-10 CN disclosed
EP-2421864-B1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-08-06 EP disclosed
US-8461175-B2 1-pyrazolo[4,3-c]isoquinoline derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2013-06-11 US disclosed
US-8461175-B2 1-pyrazolo[4,3-c]isoquinoline derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2013-06-11 US disclosed
CN-102459260-A 1-pyrazolo[4,3-c]isoquinoline derivatives, preparation thereof and therapeutic use thereof SANOFI AVENTIS 2012-05-16 CN disclosed
US-20120115898-A1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-05-10 US disclosed
EP-2421864-A1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-29 EP disclosed
WO-2010122272-A1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-10-28 WO disclosed
CN-101870697-A Preparation method of polysubstituted isoquinolopyrazole compound UNIV FUDAN 2010-10-27 CN disclosed
CN-101870697-A Preparation method of polysubstituted isoquinolopyrazole compound UNIV FUDAN 2010-10-27 CN disclosed
EP-1644371-A1 PYRAZOLOISOQUINOLINE DERIVATIVES AS KINASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2006-04-12 EP disclosed
WO-2005012301-A1 PYRAZOLOISOQUINOLINE DERIVATIVES AS KINASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-02-10 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 (2 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-20250026722-A1 SUBSTITUTED QUINOLINES AS IMPROVED NF-KB-INDUCING KINASE (NIK) INHIBITORS NFKBIA, IKBKG, IKBKB KDM4E 1517/4885GPR3 4110/4885HSD17B10 2844/4885
US-20120115898-A1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CBR3, CYP4F3, HCCS KDM4E 3364/4885GPR3 133/4885HSD17B10 1433/4885

“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.