SCHEMBL17818802

SCHEMBL17818802

COC(=O)c1c[nH]c2nccc(Cl)c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 5/20 0.58
MAP2K1 Q02750 2/20 0.56
AXL P30530 6/20 0.49
LRRK2 Q5S007 2/20 0.49
CDK2 P24941 2/20 0.49
CDK9 P50750 2/20 0.49
CDK5 Q00535 2/20 0.49
CDC7 O00311 1/20 0.49
PLK4 O00444 1/20 0.49
CHEK1 O14757 1/20 0.49
MAPK13 O15264 1/20 0.49
PDPK1 O15530 1/20 0.49
DAPK3 O43293 1/20 0.49
DYRK3 O43781 1/20 0.49
ROCK2 O75116 1/20 0.49
PRKD3 O94806 1/20 0.49
MAP4K4 O95819 1/20 0.49
ABL1 P00519 1/20 0.49
PRKCG P05129 1/20 0.49
CDK1 P06493 1/20 0.49

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
SCHEMBL9938173 0.88 MAP2K1 (0.52) NR4A2MAP2K1AXLLRRK2CDK2
SCHEMBL9937764 0.86 JAK3 (0.57) JAK3JAK2
SCHEMBL1839435 0.84 LRRK2 (0.51) NR4A2MAP2K1AXLLRRK2CDK2
SCHEMBL30122008 0.83 CSNK2A1 (0.52) NR4A2MAP2K1AXLLRRK2CDK2
SCHEMBL17818839 0.83 CSNK2A1 (0.52) NR4A2MAP2K1AXLLRRK2CDK2
SCHEMBL30365873 0.82 MAP2K1 (0.56) NR4A2MAP2K1AXLPKMJAK3
SCHEMBL22553986 0.82 MAP2K1 (0.56) NR4A2MAP2K1AXLPKMJAK3
SCHEMBL24672390 0.81 CDK8 (0.62) MAP2K1AXLLRRK2CDK2CDK9
SCHEMBL30668776 0.81 CDK8 (0.62) MAP2K1AXLLRRK2CDK2CDK9
SCHEMBL29953241 0.79 MAP2K1 (0.54) NR4A2MAP2K1AXLPIM1PIM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018150-A1 SMALL MOLECULAR INHIBITOR AGAINST BTK AND/OR BTK C481S AND USE THEREOF ARROMAX PHARMATECH CO., LTD. (CN) 2024-01-18 US disclosed
US-10676433-B2 Indole derivatives and their use in neurodegenerative diseases MERCK PATENT GMBH (DE) 2020-06-09 US disclosed
US-10323000-B2 Indole derivatives and their use in neurodegenerative diseases MERCK PATENT GMBH (DE) 2019-06-18 US disclosed
US-10323000-B2 Indole derivatives and their use in neurodegenerative diseases MERCK PATENT GMBH (DE) 2019-06-18 US disclosed
US-20190161447-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2019-05-30 US disclosed
EP-3233841-A1 INDOLE AND AZAINDOLES DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES Merck Patent GmbH (DE) 2017-10-25 EP disclosed
WO-2016100281-A1 INDOLE AND AZAINDOLES DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2016-06-23 WO disclosed
WO-2016100281-A1 INDOLE AND AZAINDOLES DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2016-06-23 WO disclosed
US-20160168090-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2016-06-16 US disclosed
US-20160168090-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2016-06-16 US disclosed
US-20160168090-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2016-06-16 US 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-20160168090-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES P2RX3, P2RX7, P2RX2 NR4A2 683/4885MAP2K1 2823/4885AXL 1673/4885
US-10323000-B2 Indole derivatives and their use in neurodegenerative diseases P2RX3, ADORA2A, P2RX7 NR4A2 789/4885MAP2K1 2647/4885AXL 1868/4885
US-20190161447-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES P2RX3, P2RX7, P2RX2 NR4A2 683/4885MAP2K1 2823/4885AXL 1673/4885
US-10676433-B2 Indole derivatives and their use in neurodegenerative diseases P2RX3, ADORA2A, P2RX7 NR4A2 789/4885MAP2K1 2647/4885AXL 1868/4885
US-20240018150-A1 SMALL MOLECULAR INHIBITOR AGAINST BTK AND/OR BTK C481S AND USE THEREOF BTK, SYK, LCK NR4A2 3760/4885MAP2K1 205/4885AXL 82/4885

“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.