SCHEMBL5263722

SCHEMBL5263722

Clc1nccc(Nc2ccc(Br)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.48
PIK3CB P42338 1/20 0.48
PIK3CG P48736 1/20 0.48
NPC1 O15118 4/20 0.45
MAPT P10636 4/20 0.45
RAB9A P51151 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPK1 P28482 3/20 0.45
AURKA O14965 3/20 0.45
LMNA P02545 2/20 0.45
ALOX12 P18054 1/20 0.45
KCNH2 Q12809 1/20 0.44
SCN9A Q15858 1/20 0.44
PABPC1 P11940 1/20 0.44
CHEK1 O14757 1/20 0.43
IKBKB O14920 1/20 0.43
PDPK1 O15530 1/20 0.43
CHEK2 O96017 1/20 0.43
PRKCG P05129 1/20 0.43

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
SCHEMBL3302653 0.82 LMNA (0.67) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL5443900 0.82 SCN9A (0.51) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL5394104 0.82 EPHB4 (0.45) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL4767203 0.81 NPC1 (0.46) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL3988183 0.81 AURKA (0.65) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL23887607 0.80 SYK (0.42) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL19089362 0.80 KDR (0.54) AURKACDK1KDRROCK1AGPAT2
SCHEMBL4426737 0.80 AURKA (0.69) PIK3CAPIK3CBPIK3CGNPC1MAPT
SCHEMBL20618595 0.79 ROCK2 (0.46) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL27625434 0.79 NFKB1 (0.56) NPC1MAPTRAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260034127-A1 TREATMENT OF GVHD KADMON CORP LLC (FR) 2026-02-05 US disclosed
US-20230257376-A1 ROCK INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO. LTD. (CN) 2023-08-17 US disclosed
US-20230257376-A1 ROCK INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO. LTD. (CN) 2023-08-17 US disclosed
US-20230257376-A1 ROCK INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO. LTD. (CN) 2023-08-17 US disclosed
US-20230174519-A1 Inhibitors of Rho Associated Coiled-Coil Containing Protein Kinase KADMON CORPORATION, LLC (US) 2023-06-08 US disclosed
US-20230174519-A1 Inhibitors of Rho Associated Coiled-Coil Containing Protein Kinase KADMON CORPORATION, LLC (US) 2023-06-08 US disclosed
EP-4155308-A1 ROCK INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF Wuhan LL Science and Technology Development Co., Ltd. (CN) 2023-03-29 EP disclosed
US-20220395501-A1 TREATMENT OF GVHD KADMON CORP LLC (US) 2022-12-15 US disclosed
US-20220395501-A1 TREATMENT OF GVHD KADMON CORP LLC (US) 2022-12-15 US disclosed
US-11311541-B2 Treatment of GVHD KADMON CORPORATION, LLC (US) 2022-04-26 US disclosed
WO-2015157556-A1 TREATMENT OF GVHD KADMON CORPORATION, LLC (US) 2015-10-15 WO disclosed
CN-104903312-A RHO KINASE INHIBITORS KADMON CORP LLC 2015-09-09 CN disclosed
WO-2015054317-A1 RHO KINASE INHIBITORS KADMON CORPORATION, LLC (US) 2015-04-16 WO disclosed
CN-100445270-C Pyrimidine compounds ASTRAZENECA AB (SE) 2008-12-24 CN disclosed
EP-1272477-B1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2007-05-09 EP disclosed
US-7153964-B2 Pyrimidine compounds ASTRAZENECA AB (SE) 2006-12-26 US disclosed
US-20030149064-A1 Pyrimidine compounds ASTRAZENECA AB (SE) 2003-08-07 US disclosed
CN-1406231-A Pyrimidine compounds ASTRAZENECA AB (SE) 2003-03-26 CN disclosed
EP-1272477-A1 PYRIMIDINE COMPOUNDS AstraZeneca AB (SE) 2003-01-08 EP disclosed
WO-2001064654-A1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2001-09-07 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-20230257376-A1 ROCK INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF ROCK1, ROCK2, RHOT2 PIK3CA 517/4885PIK3CB 733/4885PIK3CG 666/4885
US-20230174519-A1 Inhibitors of Rho Associated Coiled-Coil Containing Protein Kinase ROCK1, ROCK2, RHOT2 PIK3CA 1728/4885PIK3CB 1572/4885PIK3CG 1431/4885
US-20260034127-A1 TREATMENT OF GVHD ROCK2, RHOA, MYH2 PIK3CA 1308/4885PIK3CB 931/4885PIK3CG 634/4885
US-20030149064-A1 Pyrimidine compounds CDK2, CCNI, CCNY PIK3CA 160/4885PIK3CB 316/4885PIK3CG 308/4885
US-20220395501-A1 TREATMENT OF GVHD ROCK2, ROCK1, RHOXF2 PIK3CA 1383/4885PIK3CB 970/4885PIK3CG 811/4885
US-11311541-B2 Treatment of GVHD ROCK2, ROCK1, RHOA PIK3CA 1730/4885PIK3CB 1399/4885PIK3CG 1145/4885

“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.