SCHEMBL2881516

SCHEMBL2881516

N#Cc1ccc(Oc2ccc(N)cc2Cl)cc1F

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 10/20 0.51
AR P10275 5/20 0.47
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
PLA2G7 Q13093 2/20 0.43
PDE7A Q13946 1/20 0.41
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL11783518 0.87 AR (0.57) SLC22A12ARKDM4EUSP2ALDH1A1
SCHEMBL28697603 0.86 SLC22A12 (0.51) SLC22A12ARKDM4EUSP2ALDH1A1
SCHEMBL11756420 0.86 SLC22A12 (0.53) SLC22A12ARHTR2ASLC6A4
SCHEMBL13295195 0.81 PDE7A (0.49) KDM4EALDH1A1PDE7AHTR2ASLC6A4
SCHEMBL28288101 0.78 HTR2A (0.55) SLC22A12ARKDM4EUSP2ALDH1A1
SCHEMBL28677206 0.78 KDM4E (0.53) SLC22A12ARKDM4EUSP2ALDH1A1
SCHEMBL11424391 0.78 MERTK (0.49) ARKDM4EUSP2ALDH1A1PDE7A
SCHEMBL10535321 0.77 TRPV4 (0.55) SLC22A12AR
SCHEMBL3426930 0.75 HTR2A (0.49) KDM4EALDH1A1PDE7AHTR2ASLC6A4
SCHEMBL28677203 0.75 AR (0.53) SLC22A12ARKDM4EUSP2ALDH1A1

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 5 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-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 SLC22A12 4566/4885AR 4578/4885KDM4E 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.