SCHEMBL717689

SCHEMBL717689

Nc1nc(Cl)cc(-c2ccncc2)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 9/20 0.70
HSP90AB1 P08238 9/20 0.70
KDM4E B2RXH2 2/20 0.70
HRH4 Q9H3N8 1/20 0.49
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 2/20 0.43
CDC7 O00311 1/20 0.43
DAPK3 O43293 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
PAK4 O96013 1/20 0.43
PIM1 P11309 1/20 0.43
PRKACA P17612 1/20 0.43
GRK5 P34947 1/20 0.43
MAP2K2 P36507 1/20 0.43
MAPK8 P45983 1/20 0.43
CSNK1A1 P48729 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
SCHEMBL15750049 0.86 ADORA2A (0.64) HSP90AA1HSP90AB1KDM4EHRH4ADORA2A
SCHEMBL1643108 0.82 HSP90AA1 (1.00) HSP90AA1HSP90AB1KDM4EHRH4ADORA2A
SCHEMBL3951575 0.82 HSP90AB1 (0.72) HSP90AA1HSP90AB1KDM4EHRH4ADORA2A
SCHEMBL14413753 0.82 HSP90AA1 (0.72) HSP90AA1HSP90AB1KDM4EHRH4ADORA2A
SCHEMBL18013628 0.82 HSP90AA1 (0.49) HSP90AA1HSP90AB1KDM4EHRH4MAPT
SCHEMBL23183421 0.80 POLB (0.48) HSP90AA1HSP90AB1KDM4EADORA2AADORA1
SCHEMBL13288410 0.79 HSP90AA1 (0.68) HSP90AA1HSP90AB1KDM4EHRH4ADORA2A
SCHEMBL1644353 0.79 HSP90AA1 (0.68) HSP90AA1HSP90AB1KDM4EHRH4ADORA2A
SCHEMBL27719490 0.79 HSP90AB1 (0.68) HSP90AA1HSP90AB1KDM4EHRH4ADORA2A
SCHEMBL3451558 0.79 HSP90AB1 (0.68) HSP90AA1HSP90AB1KDM4EHRH4ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023135265-A1 MOLECULES TARGETING VIRAL RNA AND/OR VIRAL RNA-PROTEIN COMPLEXES FOR USE IN THE TREATMENT OF VIRAL INFECTIONS, IN PARTICULAR COVID-19 Johann Wolfgang Goethe-Universität Frankfurt am Main (DE) 2023-07-20 WO disclosed
WO-2023135265-A1 MOLECULES TARGETING VIRAL RNA AND/OR VIRAL RNA-PROTEIN COMPLEXES FOR USE IN THE TREATMENT OF VIRAL INFECTIONS, IN PARTICULAR COVID-19 Johann Wolfgang Goethe-Universität Frankfurt am Main (DE) 2023-07-20 WO disclosed
EP-4212633-A1 MOLECULES TARGETING VIRAL RNA AND/OR VIRAL RNA-PROTEIN COMPLEXES FOR USE IN THE TREATMENT OF VIRAL INFECTIONS, IN PARTICULAR COVID-19 Johann-Wolfgang-Goethe-Universität Frankfurt am Main (DE) 2023-07-19 EP disclosed
EP-4212633-A1 MOLECULES TARGETING VIRAL RNA AND/OR VIRAL RNA-PROTEIN COMPLEXES FOR USE IN THE TREATMENT OF VIRAL INFECTIONS, IN PARTICULAR COVID-19 Johann-Wolfgang-Goethe-Universität Frankfurt am Main (DE) 2023-07-19 EP disclosed
US-20120302587-A1 RHO-KINASE INHIBITORS NAGARAHNAM DHANAPALAN (US) 2012-11-29 US disclosed
US-20120302587-A1 RHO-KINASE INHIBITORS NAGARAHNAM DHANAPALAN (US) 2012-11-29 US disclosed
US-20120302587-A1 RHO-KINASE INHIBITORS NAGARAHNAM DHANAPALAN (US) 2012-11-29 US disclosed
EP-1470121-B1 PYRIMIDINE DERIVATIVES AS RHO-KINASE INHIBITORS BAYER HEALTHCARE LLC (US) 2012-07-11 EP disclosed
EP-1470121-B1 PYRIMIDINE DERIVATIVES AS RHO-KINASE INHIBITORS BAYER HEALTHCARE LLC (US) 2012-07-11 EP disclosed
US-20120053179-A1 Rho-Kinase Inhibitors NAGARATHNAM DHANAPALAN (US) 2012-03-01 US disclosed
EP-1562935-A1 HETEROARYLOXY-SUBSTITUTED PHENYLAMINOPYRIMIDINES AS RHO-KINASE INHIBITORS Bayer HealthCare AG (DE) 2005-08-17 EP disclosed
US-6924290-B2 Rho-kinase inhibitors BAYER PHARMACEUTICALS CORPORATION (US) 2005-08-02 US disclosed
EP-1515965-A1 PHENYLAMINOPYRIMIDINES AND THEIR USE AS RHO-KINASE INHIBITORS Bayer Aktiengesellschaft (DE) 2005-03-23 EP disclosed
EP-1470121-A1 PYRIMIDINE DERIVATIVES AS RHO-KINASE INHIBITORS Bayer Pharmaceuticals Corporation (US) 2004-10-27 EP disclosed
WO-2004039796-A1 HETEROARYLOXY-SUBSTITUTED PHENYLAMINOPYRIMIDINES AS RHO-KINASE INHIBITORS BAYER HEALTHCARE AG (DE) 2004-05-13 WO disclosed
WO-2004039796-A1 HETEROARYLOXY-SUBSTITUTED PHENYLAMINOPYRIMIDINES AS RHO-KINASE INHIBITORS BAYER HEALTHCARE AG (DE) 2004-05-13 WO disclosed
US-20040002507-A1 Rho-kinase inhibitors BAYER CORPORATION (US) 2004-01-01 US disclosed
US-20040002508-A1 Antitumor agents; anticancer agents; sexual disorders; cardiovascular disorders BAYER CORPORATION 2004-01-01 US disclosed
WO-2003106450-A1 PHENYLAMINOPYRIMIDINES AND THEIR USE AS RHO-KINASE INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2003-12-24 WO disclosed
WO-2003062225-A1 PYRIMIDINE DERIVATIVES AS RHO-KINASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-07-31 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-20040002507-A1 Rho-kinase inhibitors CIT, ROCK1, ROCK2 HSP90AA1 658/4885HSP90AB1 506/4885KDM4E 1463/4885
US-20120053179-A1 Rho-Kinase Inhibitors CIT, ROCK1, ROCK2 HSP90AA1 658/4885HSP90AB1 506/4885KDM4E 1463/4885
US-20040002508-A1 Antitumor agents; anticancer agents; sexual disorders; cardiovascular disorders CIT, ROCK1, RHOT2 HSP90AA1 220/4885HSP90AB1 244/4885KDM4E 2010/4885
US-20120302587-A1 RHO-KINASE INHIBITORS CIT, ROCK1, ROCK2 HSP90AA1 658/4885HSP90AB1 506/4885KDM4E 1463/4885

“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.