SCHEMBL1420155

SCHEMBL1420155

Cc1c(C(=O)O)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.61
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
MEN1 O00255 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
MAPK1 P28482 2/20 0.58
CCR1 P32246 4/20 0.53
NOTUM Q6P988 1/20 0.53
PTGS2 P35354 1/20 0.52
NPSR1 Q6W5P4 3/20 0.51
ALDH1A1 P00352 1/20 0.51
HSP90AA1 P07900 1/20 0.51
SLC9A1 P19634 1/20 0.50
SLC9A2 Q9UBY0 1/20 0.50
PTPN1 P18031 1/20 0.49
HPGD P15428 2/20 0.48
USP2 O75604 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HSD11B1 P28845 1/20 0.48
PKM P14618 1/20 0.48

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
SCHEMBL1420171 0.87 KMT2A (0.58) KMT2ANPC1RAB9AMEN1L3MBTL1
SCHEMBL13832785 0.87 MAPK1 (0.71) KMT2ANPC1RAB9AMEN1L3MBTL1
SCHEMBL6052256 0.87 MAPK1 (0.61) NPC1RAB9AMAPK1NOTUMPTGS2
SCHEMBL7510664 0.86 KMT2A (0.56) KMT2ANPC1RAB9AMEN1L3MBTL1
SCHEMBL8341634 0.85 MAPK1 (0.55) KMT2ANPC1RAB9AMEN1L3MBTL1
SCHEMBL27692438 0.85 HSD11B1 (0.62) KMT2ANPC1RAB9AMEN1MAPK1
SCHEMBL27405 0.85 MAPK1 (0.78) KMT2ANPC1RAB9AMEN1L3MBTL1
SCHEMBL15167628 0.84 MAPK1 (0.55) KMT2ANPC1RAB9AMEN1L3MBTL1
SCHEMBL13505849 0.84 MAPK1 (0.58) NPC1RAB9AMAPK1PTGS2ALDH1A1
SCHEMBL6052319 0.84 MAPK1 (0.58) KMT2ANPC1RAB9AMEN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110869363-B 5-membered and bicyclic heterocyclic amides as ROCK inhibitors 百时美施贵宝公司 2024-01-05 CN disclosed
US-11673886-B2 5-membered and bicyclic heterocyclic amides as inhibitors of ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2023-06-13 US disclosed
US-11673886-B2 5-membered and bicyclic heterocyclic amides as inhibitors of ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2023-06-13 US disclosed
US-20220356179-A1 5-MEMBERED AND BICYCLIC HETEROCYCLIC AMIDES AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2022-11-10 US disclosed
US-11078197-B2 5-membered and bicyclic heterocyclic amides as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-03 US disclosed
US-11078197-B2 5-membered and bicyclic heterocyclic amides as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-03 US disclosed
EP-3652168-B1 5-MEMBERED AND BICYCLIC HETEROCYCLIC AMIDES AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2021-06-30 EP disclosed
EP-3652168-B1 5-MEMBERED AND BICYCLIC HETEROCYCLIC AMIDES AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2021-06-30 EP disclosed
US-20210147406-A1 5-MEMBERED AND BICYCLIC HETEROCYCLIC AMIDES AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2021-05-20 US disclosed
EP-3652168-A1 5-MEMBERED AND BICYCLIC HETEROCYCLIC AMIDES AS INHIBITORS OF ROCK Bristol-Myers Squibb Company (US) 2020-05-20 EP disclosed
WO-2004084842-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 WO disclosed
US-20040198780-A1 Inhibitors of cathepsin S IRM LLC (BM) 2004-10-07 US disclosed
EP-1451160-A2 PYRAZOLE-AMIDES AND-SULFONAMIDES Icagen, Inc. (US) 2004-09-01 EP disclosed
WO-2003037274-A2 PYRAZOLE-AMIDES AND-SULFONAMIDES ICAGEN, INC. (US) 2003-05-08 WO disclosed
US-20030055093-A1 Acylated indanyl amines and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-03-20 US disclosed
CN-1346348-A Amide compound and pharmaceutical use thereof YOSHITOMI PHARMACEUTICAL (JP) 2002-04-24 CN disclosed
EP-1176140-A1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2002-01-30 EP disclosed
US-5888941-A Carbozamides with antifungal activity J. URIACH & CIA. S.A. (ES) 1999-03-30 US disclosed
EP-0783502-A1 NEW CARBOXAMIDES WITH ANTIFUNGAL ACTIVITY J. URIACH & CIA. S.A. (ES) 1997-07-16 EP disclosed
WO-1997005131-A1 NEW CARBOXAMIDES WITH ANTIFUNGAL ACTIVITY J. URIACH & CIA. S.A. (ES) 1997-02-13 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 (6 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-11673886-B2 5-membered and bicyclic heterocyclic amides as inhibitors of ROCK MYLK, ROCK1, ROCK2 KMT2A 1628/4885NPC1 4398/4885RAB9A 456/4885
US-20210147406-A1 5-MEMBERED AND BICYCLIC HETEROCYCLIC AMIDES AS INHIBITORS OF ROCK MYLK, ROCK1, ROCK2 KMT2A 1770/4885NPC1 4344/4885RAB9A 464/4885
US-11078197-B2 5-membered and bicyclic heterocyclic amides as inhibitors of rock MYLK, ROCK1, ROCK2 KMT2A 1770/4885NPC1 4344/4885RAB9A 464/4885
US-20040198780-A1 Inhibitors of cathepsin S CTSS, CTSK, CTSE KMT2A 3983/4885NPC1 333/4885RAB9A 3129/4885
US-20220356179-A1 5-MEMBERED AND BICYCLIC HETEROCYCLIC AMIDES AS INHIBITORS OF ROCK MYLK, ROCK1, ROCK2 KMT2A 1628/4885NPC1 4398/4885RAB9A 456/4885
US-20030055093-A1 Acylated indanyl amines and their use as pharmaceuticals EDNRA, VEGFA, EDNRB KMT2A 1270/4885NPC1 355/4885RAB9A 2476/4885

“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.