SCHEMBL894614

SCHEMBL894614

NC(=O)c1cnc(Cl)cc1Nc1ccc(C(=O)N2CCOCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.55
SYK P43405 2/20 0.52
JAK2 O60674 3/20 0.52
LRRK2 Q5S007 3/20 0.52
BTK Q06187 3/20 0.48
PHGDH O43175 1/20 0.48
PDE4B Q07343 1/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
JAK1 P23458 2/20 0.47
TYK2 P29597 2/20 0.47
JAK3 P52333 2/20 0.47
PTK2 Q05397 1/20 0.46
PKM P14618 2/20 0.46
POLB P06746 1/20 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
SCHEMBL894790 0.90 LRRK2 (0.53) CSF1RSYKJAK2LRRK2PHGDH
SCHEMBL10169543 0.87 CSF1R (0.55) CSF1RSYKJAK2LRRK2BTK
SCHEMBL5027838 0.86 MAPK9 (0.58) SYKJAK2MAPTJAK1TYK2
SCHEMBL894622 0.84 GAA (0.52) SYKJAK2LRRK2MAPTHPGD
SCHEMBL894648 0.81 JAK2 (0.49) JAK2LRRK2BTKPHGDHMAPT
SCHEMBL894322 0.79 BTK (0.62) SYKBTK
SCHEMBL894320 0.79 BTK (0.62) SYKBTK
SCHEMBL893942 0.78 BTK (0.65) SYKJAK2LRRK2BTKPHGDH
SCHEMBL4403245 0.78 SYK (0.52) SYKJAK2JAK1TYK2JAK3
SCHEMBL2696032 0.77 JAK3 (0.72) CSF1RSYKJAK2BTKJAK1

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 CSF1R 1130/4885SYK 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.