SCHEMBL19710827

SCHEMBL19710827

CS(C)(C)C#CC(=O)c1cc(Br)n2ncnc(N)c12

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 10/20 0.34
▸ CSNK2A1 P68400 10/20 0.34
▸ NTRK1 P04629 1/20 0.33
▸ PIK3CD O00329 6/20 0.31
▸ NTRK2 Q16620 1/20 0.31
▸ AXL P30530 1/20 0.30
▸ MERTK Q12866 1/20 0.30
▸ ACVRL1 P37023 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
SCHEMBL19279752 0.86 CSNK2A2 (0.35) CSNK2A2CSNK2A1NTRK1PIK3CDNTRK2
SCHEMBL19711100 0.79 FGFR1 (0.31) —
SCHEMBL21199390 0.79 CSNK2A2 (0.40) CSNK2A2CSNK2A1NTRK1PIK3CDNTRK2
SCHEMBL19279707 0.77 CSNK2A2 (0.39) CSNK2A2CSNK2A1NTRK1PIK3CD
SCHEMBL14651915 0.77 NTRK1 (0.38) CSNK2A2CSNK2A1NTRK1PIK3CDNTRK2
SCHEMBL12537596 0.76 NTRK1 (0.41) CSNK2A2CSNK2A1NTRK1PIK3CDNTRK2
SCHEMBL19703424 0.76 PIK3CD (0.33) PIK3CDACVRL1
SCHEMBL12285417 0.72 KDM4E (0.45) CSNK2A2CSNK2A1
SCHEMBL12283330 0.72 CSNK2A2 (0.43) CSNK2A2CSNK2A1NTRK1PIK3CD
SCHEMBL19697985 0.71 CSNK2A2 (0.38) CSNK2A2CSNK2A1NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 — — 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-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS PIK3R3, JAK2, JAK3 CSNK2A2 601/4885CSNK2A1 515/4885NTRK1 2389/4885

“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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