SCHEMBL2879516

SCHEMBL2879516

Nc1nc(Cl)cc(CBr)n1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 4/20 0.56
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 1/20 0.42
HSP90AA1 P07900 3/20 0.41
HRH4 Q9H3N8 1/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.38
CYP1A2 P05177 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
POLA1 P09884 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL10617507 0.82 HSP90AB1 (0.60) HSP90AB1KMT2AKDM4ECYP2D6CYP2C19
SCHEMBL7420125 0.80 HSP90AB1 (0.58) HSP90AB1KMT2AKDM4ECYP2D6CYP2C19
Hydrochloric Acid SCHEMBL10618220 0.80 HSP90AB1 (0.58) HSP90AB1KMT2AKDM4ECYP2D6CYP2C19
SCHEMBL10619523 0.78 HSP90AB1 (0.56) HSP90AB1KMT2AKDM4ECYP2D6CYP2C19
SCHEMBL14451652 0.78 HSP90AB1 (0.56) HSP90AB1KMT2AKDM4ECYP2D6CYP2C19
SCHEMBL718227 0.78 HSP90AB1 (0.56) HSP90AB1KMT2AKDM4ECYP2D6CYP2C19
SCHEMBL2876986 0.78 HSP90AB1 (0.56) HSP90AB1KMT2AKDM4ECYP2D6CYP2C19
SCHEMBL7563064 0.77 MAPT (0.36) HSP90AB1KMT2AHRH4MAPTMEN1
Bromide SCHEMBL7564429 0.76 MAPT (0.35) HSP90AB1KMT2AHRH4MAPTMEN1
SCHEMBL2879873 0.76 CCR1 (0.33) HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7737153-B2 Heteroaryloxy-substituted phenylaminopyrimidines as rho-kinase inhibitors BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-15 US disclosed
US-7737153-B2 Heteroaryloxy-substituted phenylaminopyrimidines as rho-kinase inhibitors BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-15 US disclosed
US-7737153-B2 Heteroaryloxy-substituted phenylaminopyrimidines as rho-kinase inhibitors BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-15 US disclosed
US-20060241127-A1 Heteroaryloxy-substituted phenylaminopyrimidines as rho-kinase inhibitors BAYER HEALTHCARE AG (DE) 2006-10-26 US disclosed
EP-1562935-B1 HETEROARYLOXY-SUBSTITUTED PHENYLAMINOPYRIMIDINES AS RHO-KINASE INHIBITORS BAYER HEALTHCARE AG (DE) 2006-09-06 EP disclosed
WO-2004039796-A1 HETEROARYLOXY-SUBSTITUTED PHENYLAMINOPYRIMIDINES AS RHO-KINASE INHIBITORS BAYER HEALTHCARE AG (DE) 2004-05-13 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 (1 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-20060241127-A1 Heteroaryloxy-substituted phenylaminopyrimidines as rho-kinase inhibitors ROCK1, ROCK2, RHOA HSP90AB1 676/4885KMT2A 2353/4885KDM4E 1134/4885

“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.