SCHEMBL10169396

SCHEMBL10169396

CNc1nc(N2CCOCC2)ccc1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 5/20 0.49
KCNH2 Q12809 1/20 0.48
KDM4E B2RXH2 3/20 0.44
GAA P10253 3/20 0.44
ALDH1A1 P00352 1/20 0.44
IRAK4 Q9NWZ3 2/20 0.43
PIK3CD O00329 1/20 0.43
PIK3C2B O00750 1/20 0.43
MTOR P42345 1/20 0.43
PIK3CG P48736 1/20 0.43
IKBKB O14920 1/20 0.43
HTT P42858 1/20 0.42
PIK3CB P42338 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
SYK P43405 2/20 0.42
MAPK1 P28482 1/20 0.41
AURKA O14965 1/20 0.41
RPS6KB1 P23443 1/20 0.41

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
SCHEMBL10169212 0.87 BTK (0.46) BTKKCNH2KDM4EIRAK4IKBKB
SCHEMBL10169216 0.86 BTK (0.47) BTKKCNH2KDM4EIRAK4IKBKB
SCHEMBL7679192 0.82 PIK3CD (0.47) BTKKDM4EGAAALDH1A1IRAK4
SCHEMBL10169494 0.76 BTK (0.42) BTKKDM4EALDH1A1MTORHTT
SCHEMBL20998489 0.74 BTK (0.76) BTKKCNH2SYK
SCHEMBL30590396 0.73 PRKDC (0.50) KDM4EGAAALDH1A1MEN1MAPT
SCHEMBL2130484 0.71 PKM (0.53) KDM4EGAAALDH1A1PIK3CDPIK3C2B
SCHEMBL894473 0.71 BTK (0.72) BTKKCNH2ALDH1A1SYK
SCHEMBL29947967 0.71 ATR (0.51) KDM4EGAAALDH1A1HTTSYK
SCHEMBL2815393 0.71 IRAK4 (0.60) KDM4EGAAALDH1A1IRAK4PIK3CD

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 2 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-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MEYERS SQUIBB COMPANY 2012-04-05 US 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 2/4885KCNH2 3180/4885KDM4E 2606/4885

“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.