SCHEMBL894790

SCHEMBL894790

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.53
JAK2 O60674 1/20 0.53
PHGDH O43175 1/20 0.49
CSF1R P07333 1/20 0.48
HPGD P15428 3/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
PTK2 Q05397 1/20 0.47
PKM P14618 1/20 0.46
NTRK1 P04629 1/20 0.46
AKR1C3 P42330 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
EPHX2 P34913 1/20 0.45
KDM4E B2RXH2 1/20 0.44
RAB9A P51151 1/20 0.44
SYK P43405 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
SCHEMBL894614 0.90 CSF1R (0.55) LRRK2JAK2PHGDHCSF1RHPGD
SCHEMBL894622 0.85 GAA (0.52) LRRK2JAK2HPGDHTTSMN1; SMN2
SCHEMBL28794423 0.81 NTRK1 (0.45) LRRK2JAK2PHGDHCSF1RHPGD
SCHEMBL894991 0.80 LRRK2 (0.50) LRRK2JAK2PHGDHHPGDHTT
SCHEMBL894658 0.78 JAK2 (0.54) LRRK2JAK2PHGDHHPGDHTT
SCHEMBL10169543 0.77 CSF1R (0.55) LRRK2JAK2CSF1RHPGDHTT
SCHEMBL21600853 0.76 MAPT (0.55) JAK2MAPTAKR1C3
SCHEMBL30379619 0.76 MAPT (0.55) JAK2MAPTAKR1C3
SCHEMBL5027838 0.76 MAPK9 (0.58) JAK2MAPTSYK
SCHEMBL894648 0.75 JAK2 (0.49) LRRK2JAK2PHGDHHPGDHTT

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 LRRK2 614/4885JAK2 123/4885PHGDH 1572/4885

“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.