SCHEMBL2881162

SCHEMBL2881162

Nc1ccc(Oc2ccc3c(N)n[nH]c3c2)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 8/20 0.44
JAK2 O60674 3/20 0.43
CHEK1 O14757 3/20 0.42
KDR P35968 3/20 0.42
PDE7A Q13946 1/20 0.41
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
GRM4 Q14833 1/20 0.39
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP3A4 P08684 1/20 0.37
FLT3 P36888 1/20 0.36
PLK3 Q9H4B4 1/20 0.36
JAK3 P52333 2/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
FGFR1 P11362 1/20 0.36
PNLIP P16233 1/20 0.36
SGK1 O00141 1/20 0.36
MPO P05164 1/20 0.35

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
SCHEMBL3485196 0.77 KDM4E (0.58) CHEK1PDE7AHTR2ASLC6A4GAA
SCHEMBL4318630 0.75 PDE7A (0.63) PDE7AHTR2ASLC6A4GAAKDM4E
SCHEMBL922069 0.75 PDPK1 (0.65) PDPK1JAK2KDRGAAKDM4E
SCHEMBL2880026 0.74 GAA (0.55) PDPK1JAK2KDRGRM4GAA
SCHEMBL8325177 0.74 ROCK1 (0.58) CHEK1PDE7AHTR2ASLC6A4GAA
SCHEMBL11460671 0.74 HTR2A (0.63) PDE7AHTR2ASLC6A4CYP3A4PNLIP
SCHEMBL3484782 0.73 MEN1 (0.47) PDE7AHTR2ASLC6A4PNLIPMPO
SCHEMBL7184491 0.72 PDE7A (0.53) PDE7AHTR2ASLC6A4KDM4ECYP3A4
SCHEMBL2884254 0.72 KDR (0.54) KDRPDE7AHTR2ASLC6A4PNLIP
SCHEMBL554722 0.72 MAOA (0.61) PDE7AHTR2ASLC6A4KDM4ECYP3A4

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 PDPK1 129/4885JAK2 453/4885CHEK1 1064/4885

“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.