SCHEMBL3969852

SCHEMBL3969852

COc1cc(N=Cc2cnc(SC)nc2CCN)cc(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 2/20 0.34
HTT P42858 1/20 0.33
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP1A2 P05177 2/20 0.32
TAAR1 Q96RJ0 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
RECQL P46063 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
FGFR1 P11362 1/20 0.30
KDR P35968 1/20 0.30

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
SCHEMBL3970550 0.83 CYP1A2 (0.35) HTTMAPTMEN1KMT2ACYP1A2
SCHEMBL3971035 0.82 FGFR4 (0.38) FGFR4HTTMAPTMEN1KMT2A
SCHEMBL3971037 0.82 FGFR4 (0.38) FGFR4HTTMAPTMEN1KMT2A
SCHEMBL4403040 0.79 HTR2A (0.32)
SCHEMBL3969859 0.78 HTT (0.40) FGFR4HTTMAPTMEN1KMT2A
SCHEMBL3969850 0.78 HTT (0.40) FGFR4HTTMAPTMEN1KMT2A
SCHEMBL6736865 0.76 DHFR (0.46) FGFR4HTTCYP1A2
SCHEMBL3970879 0.66 HTT (0.38) HTTMAPTMEN1KMT2AHSD17B10
SCHEMBL6744858 0.65 PDCD1 (0.34) FGFR4MAPTMEN1KMT2ARAB9A
SCHEMBL3970774 0.63 DHFR (0.55) HTTMAPTSMN1; SMN2LMNATSHR

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-7501425-B1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyprimidines as inhibitors of cellular proliferation WARNER LAMBERT COMPANY (US) 2009-03-10 US disclosed
EP-1080092-B1 BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2008-07-23 EP disclosed
EP-1801112-A1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyrimidines as inhibitors of cellular proliferation Warner-Lambert Company LLC (US) 2007-06-27 EP disclosed
US-20040044012-A1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyrimidines as inhibitors of cellular proliferation DOBRUSIN ELLEN MYRA (US) 2004-03-04 US disclosed
EP-1080092-A2 BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 2001-03-07 EP disclosed
WO-1999061444-A2 BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1999-12-02 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-20040044012-A1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyrimidines as inhibitors of cellular proliferation CCNI, CCNH, CCNA1 FGFR4 95/4885HTT 3617/4885MAPT 4692/4885

“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.