SCHEMBL893987

SCHEMBL893987

CS(=O)(=O)c1ccc(Nc2nc(N3CCCCC3)ccc2C(N)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.53
JAK3 P52333 2/20 0.53
BTK Q06187 5/20 0.52
KCNH2 Q12809 2/20 0.52
EGFR P00533 1/20 0.49
JAK2 O60674 9/20 0.48
JAK1 P23458 9/20 0.48
SYK P43405 4/20 0.48
TYK2 P29597 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 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
SCHEMBL16801848 0.83 JAK3 (0.73) LCKJAK3BTKEGFR
SCHEMBL10169304 0.78 SYK (0.52) JAK3JAK2JAK1SYKTYK2
SCHEMBL10169216 0.78 BTK (0.47) BTKKCNH2SYKTYK2
SCHEMBL893867 0.77 SYK (0.51) JAK3EGFRJAK2JAK1SYK
SCHEMBL895259 0.77 SYK (0.39) LCKJAK3BTKKCNH2EGFR
SCHEMBL18884542 0.77 BTK (0.63) LCKJAK3BTKEGFRSYK
SCHEMBL10169212 0.77 BTK (0.46) BTKKCNH2SYKTYK2
SCHEMBL20998489 0.75 BTK (0.76) LCKJAK3BTKKCNH2SYK
SCHEMBL893657 0.74 CAMK1D (0.44) BTKKCNH2
SCHEMBL21100754 0.71 NFKB1 (0.71) BTK

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 9 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
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
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
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.