SCHEMBL6757607

SCHEMBL6757607

Clc1nccc(N2CCc3ccccc32)n1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 9/20 0.71
MAPK8 P45983 1/20 0.54
MAPK9 P45984 1/20 0.54
MKNK1 Q9BUB5 3/20 0.53
MKNK2 Q9HBH9 3/20 0.53
MAP3K14 Q99558 1/20 0.47
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.41

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
Hydrochloric Acid SCHEMBL12813071 0.98 ROCK1 (0.69) ROCK1MAPK8MAPK9MKNK1MKNK2
SCHEMBL6761496 0.91 ROCK1 (0.72) ROCK1MAPK8MAPK9MKNK1MKNK2
SCHEMBL9377412 0.83 ROCK1 (1.00) ROCK1MAPK8MAPK9MKNK1MKNK2
Hydrochloric Acid SCHEMBL12813181 0.82 ROCK1 (0.97) ROCK1MAPK8MAPK9MKNK1MKNK2
SCHEMBL1612239 0.80 MAP3K14 (0.74) ROCK1MAPK8MAPK9MKNK1MKNK2
SCHEMBL5090531 0.78 ROCK1 (0.66) ROCK1MAPK8MAPK9MKNK1MKNK2
SCHEMBL12813011 0.76 ROCK1 (0.63) ROCK1MAPK8MAPK9MKNK1MKNK2
SCHEMBL15831287 0.76 ROCK1 (0.55) ROCK1MAPK8MAPK9MKNK1MKNK2
SCHEMBL29721478 0.76 ROCK1 (0.62) ROCK1MAPK8MAPK9MKNK1MKNK2
SCHEMBL6071629 0.76 ROCK1 (0.62) ROCK1MAPK8MAPK9MKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208967-A1 Pyrimidine or Pyridine Compounds, Preparation Method Therefor and Pharmaceutical Uses Thereof INVENTISBIO CO LTD (CN) 2024-06-27 US disclosed
US-11203589-B2 Pyrimidine or pyridine compounds, preparation method therefor and pharmaceutical uses thereof InventisBio Co., Ltd. (CN) 2021-12-21 US disclosed
EP-3399968-B1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS PHARMATECH LTD (KY) 2021-10-20 EP disclosed
EP-3885344-A2 PYRIMIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF InventisBio Co., Ltd. (CN) 2021-09-29 EP disclosed
CN-109328059-B Selective inhibitors of clinically important mutants of EGFR tyrosine kinase CS制药技术有限公司 2021-08-17 CN disclosed
US-10435388-B2 Selective inhibitors of clinically important mutants of the EGFR tyrosine kinase CS PHARMATECH LIMITED (KY) 2019-10-08 US disclosed
US-20190152969-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF INVENTISBIO SHANGHAI LTD. (CN) 2019-05-23 US disclosed
CN-109328059-A Selective inhibitors of clinically important mutants of EGFR tyrosine kinase CS制药技术有限公司 2019-02-12 CN disclosed
US-20190023689-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE HIGH GREAT INVESTMENT LIMITED (HK) 2019-01-24 US disclosed
US-10179784-B2 Pyrimidine or pyridine compounds, preparation method therefor and pharmaceutical uses thereof INVENTISBIO SHANGHAI LTD. (CN) 2019-01-15 US disclosed
US-9616064-B2 Rho kinase inhibitors and methods of use H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-04-11 US disclosed
US-20140179689-A1 NOVEL RHO KINASE INHIBITORS AND METHODS OF USE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2014-06-26 US disclosed
US-20140179689-A1 NOVEL RHO KINASE INHIBITORS AND METHODS OF USE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2014-06-26 US disclosed
WO-2012135697-A2 NOVEL RHO KINASE INHIBITORS AND METHODS OF USE H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE INC. (US) 2012-10-04 WO disclosed
CN-1227249-C Pyrimidine compounds ASTRAZENECA AB (SE) 2005-11-16 CN disclosed
US-6716831-B1 INHIBITION OF FOCAL ADHESION KINASE ASTRAZENECA AB (SE) 2004-04-06 US disclosed
EP-1161428-B1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2003-05-28 EP disclosed
CN-1349528-A Pyrimidine compounds ASTRAZENECA AB (SE) 2002-05-15 CN disclosed
EP-1161428-A1 PYRIMIDINE COMPOUNDS AstraZeneca AB (SE) 2001-12-12 EP disclosed
WO-2000053595-A1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2000-09-14 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 (7 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-20190152969-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF EGFR, WEE1, DPYD ROCK1 2582/4885MAPK8 119/4885MAPK9 225/4885
US-20240208967-A1 Pyrimidine or Pyridine Compounds, Preparation Method Therefor and Pharmaceutical Uses Thereof EGFR, WEE1, DPYD ROCK1 2582/4885MAPK8 119/4885MAPK9 225/4885
US-20140179689-A1 NOVEL RHO KINASE INHIBITORS AND METHODS OF USE ROCK1, ROCK2, RHOA ROCK1 1/4885MAPK8 658/4885MAPK9 441/4885
US-10435388-B2 Selective inhibitors of clinically important mutants of the EGFR tyrosine kinase EGFR, ERBB3, ERBB2 ROCK1 311/4885MAPK8 463/4885MAPK9 379/4885
US-11203589-B2 Pyrimidine or pyridine compounds, preparation method therefor and pharmaceutical uses thereof EGFR, WEE1, TP53 ROCK1 3744/4885MAPK8 167/4885MAPK9 215/4885
US-20190023689-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE EGFR, ERBB3, ERBB2 ROCK1 311/4885MAPK8 463/4885MAPK9 379/4885
US-10179784-B2 Pyrimidine or pyridine compounds, preparation method therefor and pharmaceutical uses thereof EGFR, WEE1, DPYD ROCK1 2582/4885MAPK8 119/4885MAPK9 225/4885

“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.