Sugi Predict

Sugi Predict / Compounds / SCHEMBL894573

SCHEMBL894573

SCHEMBL894573

NC(=O)c1ccc(Cl)nc1Nc1ccc(C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.46
▸ ATM Q13315 1/20 0.43
▸ ABCC1 P33527 1/20 0.43
▸ ABCG2 Q9UNQ0 1/20 0.43
▸ EGFR P00533 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ AURKA O14965 3/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ HK1 P19367 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CDC25A P30304 1/20 0.43
▸ CDC25B P30305 1/20 0.43
▸ CDC25C P30307 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ HKDC1 Q2TB90 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL894743 0.85 SIRT2 (0.54) GAAABCC1ABCG2EGFRKDR
SCHEMBL893716 0.81 SYK (0.49) GAANPC1RAB9AKMT2AMAPT
SCHEMBL893867 0.80 SYK (0.51) EGFR
SCHEMBL893942 0.78 BTK (0.65) EGFR
SCHEMBL894676 0.78 CCNT1 (0.51) KMT2APOLB
SCHEMBL894686 0.78 SYK (0.50) GAAATMNPC1RAB9AKMT2A
SCHEMBL479544 0.77 DHODH (0.57) GAANPC1RAB9AAURKAKMT2A
SCHEMBL18925300 0.77 NPC1 (0.37) EGFRKDRNPC1RAB9AKMT2A
SCHEMBL27227387 0.75 GSK3A (0.59) NPC1RAB9AAURKAKMT2AMAPT
SCHEMBL479548 0.75 ALDH1A1 (0.46) GAAATMNPC1RAB9AKMT2A

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 GAA 1274/4885ATM 1063/4885ABCC1 2782/4885

“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.