SCHEMBL895164

SCHEMBL895164

CC(C)(C)OC(=O)N[C@@H]1CCCN(c2cc(Nc3ccc(C(=O)N4CCOCC4)cc3)c(C(N)=O)cn2)C1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BTK Q06187 16/20 0.76
JAK3 P52333 5/20 0.50
LCK P06239 5/20 0.50
EGFR P00533 2/20 0.50

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
SCHEMBL895163 1.00 BTK (0.76) BTKJAK3LCKEGFR
SCHEMBL27851830 0.93 BTK (0.66) BTKJAK3LCKEGFR
SCHEMBL894662 0.89 BTK (0.59) BTKJAK3LCKEGFR
SCHEMBL13052205 0.89 BTK (0.59) BTKJAK3LCKEGFR
SCHEMBL16763644 0.86 BTK (1.00) BTKJAK3LCKEGFR
SCHEMBL16763641 0.86 BTK (1.00) BTKJAK3LCKEGFR
SCHEMBL894600 0.86 BTK (0.76) BTKJAK3LCKEGFR
SCHEMBL894602 0.86 BTK (0.76) BTKJAK3LCKEGFR
SCHEMBL894625 0.84 BTK (0.67) BTKJAK3LCKEGFR
SCHEMBL894624 0.84 BTK (0.67) BTKJAK3LCKEGFR

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 3 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
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 BTK 2/4885JAK3 418/4885LCK 31/4885

“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.