SCHEMBL893556

SCHEMBL893556

CCCOc1nc(N2CCCC(NC(=O)Nc3ncc(C)s3)C2)cc(Nc2ccc(C(=O)N3CCOCC3)cc2)c1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LCK P06239 12/20 0.52
JAK3 P52333 7/20 0.52
BTK Q06187 14/20 0.49
EGFR P00533 4/20 0.47

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
SCHEMBL893555 1.00 LCK (0.52) LCKJAK3BTKEGFR
SCHEMBL894824 0.89 LCK (0.58) LCKJAK3BTKEGFR
SCHEMBL894992 0.85 LCK (0.55) LCKJAK3BTKEGFR
SCHEMBL894994 0.85 LCK (0.55) LCKJAK3BTKEGFR
SCHEMBL894624 0.84 BTK (0.67) LCKJAK3BTKEGFR
SCHEMBL894625 0.84 BTK (0.67) LCKJAK3BTKEGFR
SCHEMBL1704987 0.84 LCK (0.56) LCKJAK3BTKEGFR
SCHEMBL893937 0.83 BTK (0.53) LCKJAK3BTKEGFR
SCHEMBL893939 0.83 BTK (0.53) LCKJAK3BTKEGFR
SCHEMBL10169544 0.76 LRRK2 (0.47) LCKJAK3BTKEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586751-B2 Nicotinamide compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-19 US disclosed
EP-2440204-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS Bristol-Myers Squibb Company (US) 2012-04-18 EP disclosed
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MEYERS SQUIBB COMPANY 2012-04-05 US disclosed
WO-2010144647-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-16 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-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS NADK, BTK, NAMPT LCK 31/4885JAK3 418/4885BTK 2/4885

“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.