SCHEMBL894648

SCHEMBL894648

NC(=O)c1c(Nc2ccc(C(=O)N3CCOCC3)cc2)cc(Cl)nc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.49
LRRK2 Q5S007 1/20 0.49
JAK1 P23458 3/20 0.49
TYK2 P29597 3/20 0.49
JAK3 P52333 3/20 0.49
BTK Q06187 1/20 0.48
PHGDH O43175 1/20 0.48
HPGD P15428 4/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TTK P33981 1/20 0.46
PLK4 O00444 1/20 0.46
KIT P10721 1/20 0.46
FLT3 P36888 1/20 0.46
PKM P14618 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL894991 0.90 LRRK2 (0.50) JAK2LRRK2JAK1TYK2JAK3
SCHEMBL893873 0.83 LRRK2 (0.47) JAK2LRRK2JAK1TYK2JAK3
SCHEMBL894614 0.81 CSF1R (0.55) JAK2LRRK2JAK1TYK2JAK3
SCHEMBL893942 0.76 BTK (0.65) JAK2LRRK2JAK1TYK2JAK3
SCHEMBL894790 0.75 LRRK2 (0.53) JAK2LRRK2PHGDHHPGDMAPT
SCHEMBL10168708 0.75 CXCR2 (0.44) HPGDMAPTALDH1A1HTTKMT2A
SCHEMBL31361069 0.75 CXCR2 (0.44) HPGDMAPTALDH1A1HTTKMT2A
SCHEMBL31361067 0.75 CXCR2 (0.44) HPGDMAPTALDH1A1HTTKMT2A
SCHEMBL894650 0.75 BTK (0.56) JAK2LRRK2JAK1TYK2JAK3
SCHEMBL10169544 0.74 LRRK2 (0.47) JAK2LRRK2JAK1TYK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 JAK2 123/4885LRRK2 614/4885JAK1 146/4885

“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.