Sugi Predict

Sugi Predict / Compounds / SCHEMBL893931

SCHEMBL893931

SCHEMBL893931

CN1CCN(C(=O)c2ccc(Nc3nc(-c4ccc(F)cc4F)ccc3C(N)=O)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 9/20 0.53
▸ CDK2 P24941 3/20 0.48
▸ CCNT1 O60563 2/20 0.48
▸ CDK9 P50750 2/20 0.48
▸ CCNE1 P24864 1/20 0.48
▸ EPHX2 P34913 1/20 0.47
▸ NTRK1 P04629 2/20 0.44
▸ AURKA O14965 1/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ LCK P06239 1/20 0.43
▸ LYN P07948 1/20 0.43
▸ KIT P10721 1/20 0.43
▸ TYK2 P29597 1/20 0.43
▸ TEC P42680 1/20 0.43
▸ TXK P42681 1/20 0.43
▸ BMX P51813 1/20 0.43
▸ ITK Q08881 1/20 0.43
▸ MAP4K1 Q92918 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL10169158 0.79 BTK (0.53) BTKCDK2CCNT1CDK9EPHX2
SCHEMBL894676 0.78 CCNT1 (0.51) BTKCCNT1CDK9EPHX2NTRK1
SCHEMBL12128812 0.73 EPHX2 (0.79) CDK2CCNT1CDK9CCNE1EPHX2
SCHEMBL21101041 0.72 BTK (0.49) BTKLCKTECSYK
SCHEMBL16676665 0.72 BTK (0.80) BTKLCKSYK
SCHEMBL18068351 0.72 BTK (0.69) BTKLCKSYK
SCHEMBL20998653 0.72 BTK (0.80) BTKLCKSYK
Hydrochloric Acid SCHEMBL16671785 0.71 BTK (0.79) BTKLCKSYK
Hydrochloric Acid SCHEMBL18044921 0.71 BTK (0.79) BTKLCKSYK
SCHEMBL10169433 0.71 MEN1 (0.47) BTKJAK2TYK2MEN1KMT2A

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 BTK 2/4885CDK2 197/4885CCNT1 2409/4885

“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.