SCHEMBL3975172

SCHEMBL3975172

CSc1ncc(C#N)c(NC2CC3CCC2C3)n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GABBR2 O75899 7/20 0.44
▸ GABBR1 Q9UBS5 7/20 0.44
▸ CTSK P43235 1/20 0.40
▸ KDR P35968 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ PDGFRB P09619 3/20 0.39
▸ PDGFRA P16234 3/20 0.39
▸ JAK2 O60674 2/20 0.38
▸ JAK1 P23458 2/20 0.38
▸ JAK3 P52333 1/20 0.36
▸ HRH4 Q9H3N8 1/20 0.35
▸ GBA1 P04062 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL23823258 0.80 JAK2 (0.43) GABBR2GABBR1KDRAURKBPDGFRB
SCHEMBL22860434 0.80 JAK2 (0.43) GABBR2GABBR1KDRAURKBPDGFRB
SCHEMBL22860432 0.79 GABBR2 (0.42) GABBR2GABBR1KDRAURKBPDGFRB
SCHEMBL4717413 0.79 GABBR2 (0.42) GABBR2GABBR1KDRAURKBPDGFRB
SCHEMBL3971399 0.79 GABBR2 (0.40) GABBR2GABBR1KDRAURKBPDGFRB
SCHEMBL1227148 0.77 MEN1 (0.47) GABBR2GABBR1CTSKJAK2JAK3
SCHEMBL1226660 0.77 LRRK2 (0.44) GABBR2GABBR1CTSKJAK2JAK3
SCHEMBL1227640 0.75 MERTK (0.49) JAK2JAK1JAK3KDM4E
SCHEMBL1227632 0.75 MERTK (0.49) JAK2JAK1JAK3KDM4E
SCHEMBL1227635 0.75 MERTK (0.49) JAK2JAK1JAK3KDM4E

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 GABBR2 4509/4885GABBR1 4653/4885CTSK 2058/4885

“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.

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