SCHEMBL4404749

SCHEMBL4404749

O=c1nc2ncncc2cn1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 14/20 0.40
CYP3A4 P08684 11/20 0.40
CYP2C9 P11712 9/20 0.40
ALDH1A1 P00352 7/20 0.40
HSD17B10 Q99714 6/20 0.40
USP2 O75604 10/20 0.39
CYP2C19 P33261 9/20 0.39
MAPK1 P28482 4/20 0.39
EGFR P00533 1/20 0.37
TSHR P16473 7/20 0.37
CLK4 Q9HAZ1 2/20 0.37
TET2 Q6N021 1/20 0.36
TET1 Q8NFU7 1/20 0.36
CYP2D6 P10635 2/20 0.36
MEN1 O00255 3/20 0.34
CASP1 P29466 3/20 0.34
CASP7 P55210 3/20 0.34
KMT2A Q03164 3/20 0.34
HBB P68871 1/20 0.34
HIF1A Q16665 1/20 0.33

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
SCHEMBL1682736 0.69 TET2 (0.41) CYP1A2ALDH1A1HSD17B10TET2TET1
SCHEMBL10926416 0.67 ALDH1A1 (0.42) CYP1A2CYP3A4CYP2C9ALDH1A1HSD17B10
SCHEMBL8801410 0.67 MKNK2 (0.59) CYP1A2CYP3A4CYP2C9ALDH1A1HSD17B10
SCHEMBL6664459 0.67 HDAC6 (0.58) ALDH1A1FGFR1HDAC6HTT
SCHEMBL30099082 0.67 MKNK2 (0.59) CYP1A2CYP3A4CYP2C9ALDH1A1HSD17B10
SCHEMBL10059381 0.65 ALDH1A1 (0.39) CYP1A2CYP3A4CYP2C9ALDH1A1HSD17B10
SCHEMBL16474747 0.65 ALDH1A1 (0.55) CYP1A2CYP3A4ALDH1A1HSD17B10MAPK1
SCHEMBL4796775 0.64 CDK4 (0.56) CYP1A2CYP3A4CYP2C9ALDH1A1HSD17B10
SCHEMBL30099032 0.64 CDK4 (0.56) CYP1A2CYP3A4CYP2C9ALDH1A1HSD17B10
SCHEMBL1963855 0.63 HSD17B10 (0.52) CYP1A2CYP3A4CYP2C9ALDH1A1HSD17B10

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
EP-1549651-B1 PYRIMIDOPYRIMIDONES AS KINASE INHIBITORS WARNER LAMBERT CO (US) 2009-12-23 EP disclosed
US-7196090-B2 Kinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-03-27 US disclosed
WO-2006038112-A1 USE OF KINASE INHIBITORS TO PROMOTE NEOCHONDROGENESIS WARNER-LAMBERT COMPANY LLC (US) 2006-04-13 WO disclosed
EP-1549651-A1 KINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-07-06 EP disclosed
WO-2004011465-A1 KINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-05 WO disclosed
US-20040019210-A1 Kinase inhibitors CHIVIKAS CONNOLLY CLEO J (US) 2004-01-29 US 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-20040019210-A1 Kinase inhibitors CDK2, CDK1, CDK4 CYP1A2 1331/4885CYP3A4 2224/4885CYP2C9 1920/4885

“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.