SCHEMBL894615

SCHEMBL894615

CCS(=O)(=O)Nc1cc(Nc2nc(Cl)ccc2C(N)=O)ccc1C(=O)N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.44
CCKBR P32239 5/20 0.42
MKNK2 Q9HBH9 1/20 0.41
SYK P43405 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
PABPC1 P11940 1/20 0.40
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
LRRK2 Q5S007 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA13 Q8N1Q1 1/20 0.39

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
SCHEMBL894616 0.81 BTK (0.44) BTKMKNK2SYKJAK2JAK1
SCHEMBL893942 0.79 BTK (0.65) BTKSYKJAK2JAK1LRRK2
SCHEMBL15393725 0.79 BTK (0.45) BTKMKNK2SYKJAK2JAK1
SCHEMBL894658 0.70 JAK2 (0.54) BTKSYKJAK2JAK1LRRK2
SCHEMBL894973 0.70 BTK (0.53) BTKSYKJAK2JAK1SMN1; SMN2
SCHEMBL894676 0.69 CCNT1 (0.51) BTKSYKJAK2BRD4
SCHEMBL10168754 0.69 BTK (0.68) BTKSYKJAK2JAK1LRRK2
SCHEMBL894714 0.67 SYK (0.55) SYKJAK2BRD4
SCHEMBL893867 0.67 SYK (0.51) SYKJAK2JAK1
SCHEMBL894650 0.66 BTK (0.56) BTKSYKJAK2JAK1LRRK2

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 2/4885CCKBR 2442/4885MKNK2 270/4885

“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.