SCHEMBL894552

SCHEMBL894552

CCN(CC)c1ccc(Nc2nc(N3CCCC(N)C3)ccc2C(N)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 8/20 0.56
KCNH2 Q12809 3/20 0.50
JAK3 P52333 2/20 0.50
EGFR P00533 1/20 0.49
LCK P06239 1/20 0.49
CAMK1D Q8IU85 11/20 0.49
SYK P43405 1/20 0.49
PIP5K1C O60331 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RIPK4 P57078 1/20 0.47
MAP2K5 Q13163 1/20 0.47
CAMK1 Q14012 1/20 0.47
MAP3K11 Q16584 1/20 0.47
PNCK Q6P2M8 1/20 0.47
CAMK1G Q96NX5 1/20 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
SCHEMBL894549 1.00 BTK (0.56) BTKKCNH2JAK3EGFRLCK
SCHEMBL10168712 0.91 BTK (0.50) BTKKCNH2JAK3EGFRLCK
SCHEMBL894691 0.88 BTK (0.55) BTKKCNH2JAK3EGFRLCK
SCHEMBL893994 0.84 JAK3 (0.59) BTKKCNH2JAK3EGFRLCK
SCHEMBL893993 0.84 JAK3 (0.59) BTKKCNH2JAK3EGFRLCK
SCHEMBL27851733 0.83 JAK3 (0.51) BTKKCNH2JAK3EGFRLCK
SCHEMBL895137 0.80 BTK (0.61) BTKKCNH2JAK3EGFRLCK
SCHEMBL893925 0.79 BTK (0.47) BTKKCNH2JAK3EGFRLCK
SCHEMBL893923 0.79 BTK (0.47) BTKKCNH2JAK3EGFRLCK
SCHEMBL894314 0.78 BTK (0.90) BTKCAMK1DSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440204-B1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-12-18 EP disclosed
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 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.