SCHEMBL894714

SCHEMBL894714

CN1CCN(c2ccc(Nc3nc(Cl)ccc3C(N)=O)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.55
CCNT1 O60563 4/20 0.52
CDK9 P50750 4/20 0.52
CDK4 P11802 3/20 0.52
CCND1 P24385 3/20 0.52
CDK6 Q00534 3/20 0.52
STAT6 P42226 1/20 0.52
BRD4 O60885 3/20 0.51
CDK11A Q9UQ88 3/20 0.51
SLC2A1 P11166 2/20 0.50
ALK Q9UM73 4/20 0.49
CCNA2 P20248 1/20 0.49
CDK2 P24941 1/20 0.49
CCNA1 P78396 1/20 0.49
LTK P29376 1/20 0.49
CLK2 P49760 1/20 0.49
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
CDK7 P50613 1/20 0.49
LIMK1 P53667 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
SCHEMBL10169167 0.87 SYK (0.56) SYKCCNT1CDK9CDK4CCND1
SCHEMBL894676 0.84 CCNT1 (0.51) SYKCCNT1CDK9CDK4CCND1
SCHEMBL894971 0.82 SYK (0.52) SYKCCNT1CDK9CDK4CCND1
SCHEMBL17690587 0.82 SLC2A1 (0.58) SYKCCNT1CDK9CDK4CCND1
SCHEMBL893537 0.80 SYK (0.52) SYKCCNT1CDK9CDK4CCND1
SCHEMBL5686083 0.80 NPC1 (0.63) SYKCCNT1CDK9CDK4CCND1
SCHEMBL10169338 0.79 SYK (0.52) SYKCCNT1CDK9CDK4CCND1
SCHEMBL893630 0.78 SYK (0.52) SYKSTAT6JAK2
SCHEMBL18617242 0.78 SYK (0.53) SYKCCNT1CDK9CDK4CCND1
SCHEMBL10127384 0.76 RET (0.54) SYKCCNT1CDK9CDK4CDK6

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 SYK 22/4885CCNT1 2409/4885CDK9 314/4885

“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.