SCHEMBL3972170

SCHEMBL3972170

CSc1ncc(CN)c(N)n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
DHFR P00374 2/20 0.36
SLC22A1 O15245 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
CYP2C19 P33261 1/20 0.36
BLM P54132 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HASPIN Q8TF76 1/20 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
SCHEMBL12197587 0.85 DHFR (0.45) ALDH1A1MEN1KMT2ADHFR
SCHEMBL1168222 0.83 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ADHFR
SCHEMBL27595964 0.83 ALDH1A1 (0.42) ALDH1A1LMNAMEN1KMT2ADHFR
SCHEMBL19937747 0.80 LMNA (0.62) ALDH1A1LMNAMEN1KMT2ADHFR
SCHEMBL22179320 0.80 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ADHFRSLC22A1
SCHEMBL7508804 0.80 ALDH1A1 (0.40) ALDH1A1
SCHEMBL7504628 0.79 ALDH1A1 (0.40) ALDH1A1LMNAMEN1KMT2ADHFR
SCHEMBL29714328 0.78 TLR8 (0.44) ALDH1A1MEN1KMT2ATSHRHSD17B10
SCHEMBL3965244 0.77 LMNA (0.39) ALDH1A1LMNAMEN1KMT2A
SCHEMBL30346051 0.77 LMNA (0.39) ALDH1A1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014089913-A1 BICYCLIC COMPOUND FUNCTIONING AS TYROSINE KINASE INHIBITOR 山东亨利医药科技有限责任公司 (CN) 2014-06-19 WO disclosed
US-7501425-B1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyprimidines as inhibitors of cellular proliferation WARNER LAMBERT COMPANY (US) 2009-03-10 US disclosed
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
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
EP-1772493-A1 AZO DYE Fujifilm Corporation (JP) 2007-04-11 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 ALDH1A1 2575/4885LMNA 4062/4885MEN1 4287/4885

“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.