SCHEMBL894650

SCHEMBL894650

NC(=O)c1cc(Br)c(Cl)nc1Nc1ccc(C(=O)N2CCOCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BTK Q06187 8/20 0.56
SYK P43405 2/20 0.53
JAK2 O60674 3/20 0.50
LRRK2 Q5S007 2/20 0.50
HPGD P15428 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
JAK1 P23458 2/20 0.47
TYK2 P29597 2/20 0.47
JAK3 P52333 2/20 0.47
CSF1R P07333 1/20 0.47
PHGDH O43175 1/20 0.46
CAMK1D Q8IU85 2/20 0.46

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
SCHEMBL894575 0.84 BTK (0.55) BTKSYKHPGDRXFP1JAK3
SCHEMBL893942 0.83 BTK (0.65) BTKSYKJAK2LRRK2HPGD
SCHEMBL10169331 0.80 BTK (0.57) BTKSYKJAK2LRRK2HPGD
SCHEMBL10168754 0.79 BTK (0.68) BTKSYKJAK2LRRK2HPGD
SCHEMBL20998489 0.76 BTK (0.76) BTKSYKHPGDRXFP1JAK3
SCHEMBL894658 0.75 JAK2 (0.54) BTKSYKJAK2LRRK2HPGD
SCHEMBL894614 0.75 CSF1R (0.55) BTKSYKJAK2LRRK2HPGD
SCHEMBL894648 0.75 JAK2 (0.49) BTKJAK2LRRK2HPGDRXFP1
SCHEMBL894840 0.74 STAT6 (0.55) SYKJAK2JAK1TYK2JAK3
SCHEMBL894473 0.74 BTK (0.72) BTKSYKJAK2HPGDRXFP1

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 BTK 2/4885SYK 22/4885JAK2 123/4885

“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.