SCHEMBL2882589

SCHEMBL2882589

Nc1ccc(Cc2ccnc3[nH]ccc23)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 1/20 0.45
NUDT1 P36639 3/20 0.43
PRKCI P41743 4/20 0.40
AXL P30530 1/20 0.40
GPR84 Q9NQS5 1/20 0.38
ROCK2 O75116 3/20 0.38
CSF1R P07333 3/20 0.36
DAPK3 O43293 2/20 0.36
JAK2 O60674 2/20 0.36
PRKD3 O94806 2/20 0.36
MAP4K4 O95819 2/20 0.36
PAK4 O96013 2/20 0.36
RET P07949 2/20 0.36
IGF1R P08069 2/20 0.36
FGFR1 P11362 2/20 0.36
PRKACA P17612 2/20 0.36
FLT1 P17948 2/20 0.36
LTK P29376 2/20 0.36
GRK5 P34947 2/20 0.36
KDR P35968 2/20 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
SCHEMBL22960022 0.83 CIT (0.42) NUDT1PRKCIAXLGPR84ROCK2
SCHEMBL13980964 0.77 MET (0.51) CDK8JAK3CITMET
SCHEMBL2888017 0.77 ROCK2 (0.48) PRKCIAXLROCK2DAPK3PRKD3
SCHEMBL2888351 0.76 ROCK2 (0.67) AXLROCK2CSF1RDAPK3PRKACA
SCHEMBL2887558 0.75 ADRA2B (0.39) ADRA2BAXLROCK2CSF1RDAPK3
SCHEMBL2886384 0.75 ROCK2 (0.38) NUDT1PRKCIROCK2CSF1RDAPK3
SCHEMBL13981042 0.75 CIT (0.48) CITMETFLT3
SCHEMBL13980993 0.75 MET (0.52) JAK3CITMETFLT3
SCHEMBL8272276 0.74 ROCK2 (0.68) ROCK2
SCHEMBL14907863 0.74 NUDT1 (0.37) ADRA2BNUDT1PRKCIAXLROCK2

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 11 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-7723347-B2 Substituted phenylamino-pyrimidines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-25 US disclosed
US-7723347-B2 Substituted phenylamino-pyrimidines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-25 US disclosed
EP-1742945-B1 SUBSTITUTED PHENYLAMINO-PYRIMIDINES BAYER SCHERING PHARMA AG (DE) 2009-12-30 EP disclosed
EP-1742945-B1 SUBSTITUTED PHENYLAMINO-PYRIMIDINES BAYER SCHERING PHARMA AG (DE) 2009-12-30 EP disclosed
US-20080269268-A1 Substituted Phenylamino-Pyrimidines BAYER HEALTHCARE AG (DE) 2008-10-30 US disclosed
US-20080269268-A1 Substituted Phenylamino-Pyrimidines BAYER HEALTHCARE AG (DE) 2008-10-30 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
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 ADRA2B 729/4885NUDT1 5/4885PRKCI 3691/4885

“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.