SCHEMBL3970809

SCHEMBL3970809

CSc1ncc(C(=O)Cl)c(NC(C)C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 2/20 0.41
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
SYK P43405 2/20 0.39
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37
FOS P01100 1/20 0.37
JUN P05412 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL1320485 0.87 RAB9A (0.47) AHRMEN1KMT2AALDH1A1ITGB1
SCHEMBL3971245 0.87 ITGB1 (0.47) AHRMEN1KMT2AALDH1A1ITGB1
SCHEMBL13734182 0.85 MAPK8 (0.52) AHRMEN1KMT2AALDH1A1ITGB1
Hydrochloric Acid SCHEMBL3974395 0.85 ITGB1 (0.47) AHRMEN1KMT2AALDH1A1ITGB1
SCHEMBL1521611 0.80 ALDH1A1 (0.65) MEN1KMT2AALDH1A1SYKNPC1
SCHEMBL30873265 0.80 ALDH1A1 (0.65) MEN1KMT2AALDH1A1SYKNPC1
SCHEMBL23653128 0.78 MAPT (0.57) MEN1KMT2AALDH1A1SYKNPC1
SCHEMBL30879309 0.77 ALDH1A1 (0.50) MEN1KMT2AALDH1A1SYKNPC1
SCHEMBL3970353 0.77 THRB (0.41) AHRALDH1A1ITGB1ITGA4MAPT
SCHEMBL14875923 0.77 ITGB1 (0.42) AHRMEN1KMT2AALDH1A1ITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1801112-A1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyrimidines as inhibitors of cellular proliferation Warner-Lambert Company LLC (US) 2007-06-27 EP claimed
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 AHR 408/4885MEN1 4287/4885KMT2A 2878/4885

“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.