SCHEMBL594143

SCHEMBL594143

Fc1c[nH]c2nccc(Br)c12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.46
AXL P30530 1/20 0.44
MAPK1 P28482 1/20 0.44
DAO P14920 1/20 0.39
LRRK2 Q5S007 3/20 0.39
JAK2 O60674 8/20 0.38
ROCK2 O75116 2/20 0.37
ROCK1 Q13464 2/20 0.37
CDC42BPA Q5VT25 2/20 0.37
CDC42BPB Q9Y5S2 2/20 0.37
NUDT1 P36639 1/20 0.34
CCNT1 O60563 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CDK9 P50750 1/20 0.34
CCNA1 P78396 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL31541397 1.00 PRKCI (0.46) PRKCIAXLMAPK1DAOLRRK2
SCHEMBL29722097 0.86 AXL (0.47) PRKCIAXLMAPK1DAOLRRK2
SCHEMBL21632471 0.86 AXL (0.47) PRKCIAXLMAPK1DAOLRRK2
SCHEMBL1036038 0.83 MAPK1 (0.52) PRKCIAXLMAPK1DAOLRRK2
SCHEMBL31499098 0.78 CHEK1 (0.46) PRKCIAXLMAPK1DAOLRRK2
SCHEMBL4581941 0.78 LRRK2 (0.49) PRKCIAXLMAPK1DAOLRRK2
SCHEMBL14158621 0.78 CHEK1 (0.46) PRKCIAXLMAPK1DAOLRRK2
SCHEMBL19932612 0.78 CCNK (0.44) PRKCIAXLMAPK1DAOLRRK2
SCHEMBL4583627 0.78 PRKCI (0.44) PRKCIAXLMAPK1DAOLRRK2
SCHEMBL30279706 0.78 PRKCI (0.44) PRKCIAXLMAPK1DAOLRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115806561-A JAK3 selective inhibitors and uses thereof 南京药石科技股份有限公司 2023-03-17 CN disclosed
US-10954236-B2 Tyrosine amide derivatives as Rho-Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2021-03-23 US disclosed
EP-3573987-B1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARM SPA (IT) 2021-03-10 EP disclosed
US-20200079774-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2020-03-12 US disclosed
US-20180215758-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2018-08-02 US disclosed
US-8114872-B2 Triazolyl aminopyrimidine compounds ELI LILLY AND COMPANY (US) 2012-02-14 US disclosed
US-20100130466-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY 2010-05-27 US disclosed
CN-101679396-A Triazolylaminopyrimidine compounds LILLY CO ELI 2010-03-24 CN disclosed
EP-2155735-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2010-02-24 EP disclosed
WO-2008144222-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-11-27 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-10954236-B2 Tyrosine amide derivatives as Rho-Kinase inhibitors ROCK1, ROCK2, CIT PRKCI 141/4885AXL 1443/4885MAPK1 118/4885
US-20200079774-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS ROCK1, ROCK2, CIT PRKCI 141/4885AXL 1443/4885MAPK1 118/4885
US-20100130466-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS DPYD, TP53, TYMP PRKCI 2579/4885AXL 908/4885MAPK1 4508/4885
US-20180215758-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS ROCK1, ROCK2, CIT PRKCI 141/4885AXL 1443/4885MAPK1 118/4885

“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.