SCHEMBL893880

SCHEMBL893880

CC(C)N1CCN(c2ccc(Nc3nc(N4CCC[C@@H](NC(=O)c5ccccc5)C4)ccc3C(N)=O)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BTK Q06187 14/20 0.58
KCNH2 Q12809 1/20 0.58
JAK3 P52333 10/20 0.57
LCK P06239 6/20 0.57
EGFR P00533 3/20 0.52

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
SCHEMBL893881 1.00 BTK (0.58) BTKKCNH2JAK3LCKEGFR
SCHEMBL1705074 0.90 BTK (0.57) BTKKCNH2JAK3LCKEGFR
SCHEMBL894610 0.90 BTK (0.61) BTKKCNH2JAK3LCKEGFR
SCHEMBL893992 0.88 BTK (0.61) BTKKCNH2JAK3LCKEGFR
SCHEMBL893995 0.88 BTK (0.61) BTKKCNH2JAK3LCKEGFR
SCHEMBL1705497 0.84 BTK (0.54) BTKKCNH2JAK3LCKEGFR
SCHEMBL10210795 0.84 BTK (0.54) BTKKCNH2JAK3LCKEGFR
SCHEMBL893914 0.82 BTK (0.78) BTKJAK3LCKEGFR
SCHEMBL893913 0.82 BTK (0.78) BTKJAK3LCKEGFR
SCHEMBL894964 0.78 BTK (0.59) BTKKCNH2JAK3LCKEGFR

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
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
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 BTK 2/4885KCNH2 3180/4885JAK3 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.