SCHEMBL2888017

SCHEMBL2888017

Nc1cc(Cl)nc(Nc2ccc(Cc3ccnc4[nH]ccc34)c(F)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 13/20 0.48
CYP3A4 P08684 2/20 0.38
MPO P05164 1/20 0.36
AXL P30530 1/20 0.35
PRKCI P41743 1/20 0.35
CIT O14578 1/20 0.35
MET P08581 2/20 0.34
SCN9A Q15858 1/20 0.34
EGFR P00533 1/20 0.34
CDC7 O00311 1/20 0.34
DAPK3 O43293 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
PAK4 O96013 1/20 0.34
PIM1 P11309 1/20 0.34
PRKACA P17612 1/20 0.34
CDK2 P24941 1/20 0.34
FLT3 P36888 1/20 0.34
CSNK1A1 P48729 1/20 0.34
CLK2 P49760 1/20 0.34

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
SCHEMBL2888351 0.85 ROCK2 (0.67) ROCK2CYP3A4AXLMETCDC7
SCHEMBL2887522 0.78 ROCK2 (0.47) ROCK2CYP3A4AXLPRKCICIT
SCHEMBL2886200 0.78 ROCK2 (0.46) ROCK2CYP3A4AXLPRKCIMET
SCHEMBL22960022 0.78 CIT (0.42) ROCK2AXLPRKCICITMET
SCHEMBL2882589 0.77 ADRA2B (0.45) ROCK2MPOAXLPRKCICIT
SCHEMBL8272276 0.76 ROCK2 (0.68) ROCK2CYP3A4EGFR
SCHEMBL5320887 0.75 ROCK2 (0.43) ROCK2AXLPRKCISCN9AEGFR
SCHEMBL13980993 0.75 MET (0.52) CITMETFLT3JAK3
SCHEMBL13980964 0.72 MET (0.51) CITMETJAK3
SCHEMBL13981042 0.71 CIT (0.48) CITMETFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723347-B2 Substituted phenylamino-pyrimidines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-25 US disclosed
US-20080269268-A1 Substituted Phenylamino-Pyrimidines BAYER HEALTHCARE AG (DE) 2008-10-30 US disclosed
EP-1742945-A1 SUBSTITUTED PHENYLAMINO-PYRIMIDINES Bayer HealthCare AG (DE) 2007-01-17 EP disclosed
WO-2005108397-A1 SUBSTITUTED PHENYLAMINO-PYRIMIDINES BAYER HEALTHCARE AG (DE) 2005-11-17 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-20080269268-A1 Substituted Phenylamino-Pyrimidines TYMP, DPYD, HPRT1 ROCK2 4593/4885CYP3A4 599/4885MPO 1545/4885

“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.