SCHEMBL4395948

SCHEMBL4395948

COc1cc(OC)c(F)c(/N=C/c2cnc(SC)nc2NC2CCCC2)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 3/20 0.40
PDGFRA P16234 3/20 0.40
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
GABBR2 O75899 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GABBR1 Q9UBS5 1/20 0.36
CCR4 P51679 1/20 0.36
TRPM8 Q7Z2W7 2/20 0.36
BCL6 P41182 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
POLB P06746 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
SCHEMBL4395951 1.00 PDGFRB (0.40) PDGFRBPDGFRAKMT2AMEN1GABBR2
SCHEMBL4404752 0.96 MERTK (0.37) PDGFRBPDGFRAKMT2AMEN1CYP1A2
SCHEMBL4404755 0.96 MERTK (0.37) PDGFRBPDGFRAKMT2AMEN1CYP1A2
SCHEMBL4395458 0.82 HTT (0.34) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL4395453 0.82 HTT (0.34) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL4403038 0.81 KDM4E (0.37) BCL6KDM4EALDH1A1
SCHEMBL4403044 0.81 KDM4E (0.37) BCL6KDM4EALDH1A1
SCHEMBL4405370 0.76 PDGFRB (0.40) PDGFRBPDGFRAKMT2AMEN1GABBR2
SCHEMBL6206210 0.75 KDM4E (0.31) KMT2AMEN1KDM4E
SCHEMBL4403040 0.74 HTR2A (0.32) KDM4E

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 PDGFRB 143/4885PDGFRA 170/4885KMT2A 1984/4885

“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.