SCHEMBL894616

SCHEMBL894616

CN(c1cc(Nc2nc(Cl)ccc2C(N)=O)ccc1C(=O)N1CCOCC1)S(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.44
MKNK2 Q9HBH9 1/20 0.43
SYK P43405 2/20 0.40
TSHR P16473 1/20 0.40
CNR1 P21554 3/20 0.40
CNR2 P34972 3/20 0.40
EPHX2 P34913 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
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
CYP3A4 P08684 2/20 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
SCHEMBL894973 0.89 BTK (0.53) BTKSYKJAK2JAK1ALDH1A1
SCHEMBL15393725 0.88 BTK (0.45) BTKMKNK2SYKCNR1CNR2
SCHEMBL894615 0.81 BTK (0.44) BTKMKNK2SYKCNR1CNR2
SCHEMBL893942 0.79 BTK (0.65) BTKSYKJAK2JAK1LCK
SCHEMBL894326 0.77 TSHR (0.46) TSHRCA12CA1CA2CA3
SCHEMBL10169324 0.71 HSP90AA1 (0.45) TSHRCA12CA1CA2CA3
SCHEMBL894658 0.70 JAK2 (0.54) BTKSYKEPHX2JAK2JAK1
SCHEMBL894754 0.69 SMN1; SMN2 (0.57) CYP3A4CYP2C9ALDH1A1SMN1; SMN2
SCHEMBL10168754 0.69 BTK (0.68) BTKSYKJAK2JAK1LCK
SCHEMBL894676 0.69 CCNT1 (0.51) BTKSYKEPHX2JAK2

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 2/4885MKNK2 270/4885SYK 22/4885

“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.