SCHEMBL894622

SCHEMBL894622

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.52
MAPT P10636 8/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
TDP1 Q9NUW8 3/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
LMNA P02545 3/20 0.52
MC4R P32245 2/20 0.52
HTT P42858 2/20 0.52
MAPK1 P28482 2/20 0.52
CLK1 P49759 1/20 0.52
GSK3A P49840 1/20 0.52
GSK3B P49841 1/20 0.52
TP53 P04637 1/20 0.51
LRRK2 Q5S007 3/20 0.49
JAK2 O60674 1/20 0.49
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PTK2B Q14289 1/20 0.49

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 0.85 LRRK2 (0.53) MAPTSMN1; SMN2LMNAHTTLRRK2
SCHEMBL894614 0.84 CSF1R (0.55) MAPTSMN1; SMN2LMNAHTTLRRK2
SCHEMBL502084 0.78 ATM (0.51) MAPTSMN1; SMN2LMNAMAPK1TP53
SCHEMBL15689136 0.78 TP53 (0.47) MAPTSMN1; SMN2TP53JAK2RAB9A
SCHEMBL18748194 0.77 CASP1 (0.47) GAAMAPTSMN1; SMN2HTTMAPK1
SCHEMBL10169543 0.76 CSF1R (0.55) MAPTHTTLRRK2JAK2RAB9A
SCHEMBL25162622 0.74 ATM (0.62) SMN1; SMN2MAPK1MEN1KMT2AKDM4E
SCHEMBL30366018 0.74 ATM (0.62) SMN1; SMN2MAPK1MEN1KMT2AKDM4E
SCHEMBL5623355 0.74 DHODH (0.53) GAAMAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL15058850 0.73 AURKB (0.48) MAPTSMN1; SMN2L3MBTL1HTTMAPK1

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 GAA 1274/4885MAPT 3529/4885SMN1; SMN2 2328/4885

“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.