SCHEMBL893657

SCHEMBL893657

CN(c1cccc(Nc2nc(N3CCCC3)ccc2C(N)=O)c1)S(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CAMK1D Q8IU85 6/20 0.44
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPK1 P28482 3/20 0.43
HTT P42858 3/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.41
BTK Q06187 4/20 0.41
KDM4E B2RXH2 1/20 0.40
KCNH2 Q12809 2/20 0.40
BRD4 O60885 1/20 0.40
ADRB2 P07550 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
MAPT P10636 1/20 0.39
BRAF P15056 1/20 0.39

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
SCHEMBL10169400 0.84 LMNA (0.48) LMNASMN1; SMN2MAPK1HTTALDH1A1
SCHEMBL894635 0.83 HTT (0.47) LMNASMN1; SMN2MAPK1HTTALDH1A1
SCHEMBL893987 0.74 LCK (0.53) BTKKCNH2
SCHEMBL10169212 0.69 BTK (0.46) HTTBTKKDM4EKCNH2MAPT
SCHEMBL10169216 0.68 BTK (0.47) HTTBTKKDM4EKCNH2MAPT
SCHEMBL894973 0.67 BTK (0.53) CAMK1DSMN1; SMN2ALDH1A1BTKKCNH2
SCHEMBL20998598 0.65 SYK (0.52) MAPK1BTKKCNH2
SCHEMBL6141196 0.64 MAPT (0.53) LMNASMN1; SMN2MAPK1ALDH1A1KDM4E
SCHEMBL20998489 0.64 BTK (0.76) BTKKCNH2
SCHEMBL894820 0.63 NR1H3 (0.56) LMNASMN1; SMN2MAPK1HTTALDH1A1

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 CAMK1D 426/4885LMNA 3170/4885SMN1; 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.