SCHEMBL894824

SCHEMBL894824

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

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LCK P06239 9/20 0.58
BTK Q06187 14/20 0.54
JAK3 P52333 6/20 0.53
EGFR P00533 4/20 0.53

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
SCHEMBL894625 0.91 BTK (0.67) LCKBTKJAK3EGFR
SCHEMBL1704987 0.91 LCK (0.56) LCKBTKJAK3EGFR
SCHEMBL894624 0.91 BTK (0.67) LCKBTKJAK3EGFR
SCHEMBL893939 0.90 BTK (0.53) LCKBTKJAK3EGFR
SCHEMBL893937 0.90 BTK (0.53) LCKBTKJAK3EGFR
SCHEMBL893556 0.89 LCK (0.52) LCKBTKJAK3EGFR
SCHEMBL893555 0.89 LCK (0.52) LCKBTKJAK3EGFR
SCHEMBL10169544 0.82 LRRK2 (0.47) LCKBTKJAK3EGFR
SCHEMBL13052205 0.81 BTK (0.59) LCKBTKJAK3EGFR
SCHEMBL894662 0.81 BTK (0.59) LCKBTKJAK3EGFR

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 2 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
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MEYERS SQUIBB COMPANY 2012-04-05 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-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS NADK, BTK, NAMPT LCK 31/4885BTK 2/4885JAK3 418/4885

“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.