SCHEMBL10168567

SCHEMBL10168567

CC(C)N1CCCC2(CC(c3ccccn3)=NO2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
F12 P00748 5/20 0.33
KCNA5 P22460 3/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
KCNE1 P15382 1/20 0.33
F2 P00734 2/20 0.33
HTT P42858 1/20 0.31
SYK P43405 1/20 0.31
CYP2D6 P10635 3/20 0.31
EPHX1 P07099 1/20 0.31
EPHX2 P34913 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL10210782 0.84 CHRNB4 (0.38) CHRNB4CHRNA3CHRM2CHRM4CHRM5
SCHEMBL10168605 0.83 CHRNB4 (0.52) CHRNB4CHRNA3CYP2D6CYP1A2CYP2C19
SCHEMBL10168575 0.80 CHRNB4 (0.40) CHRNB4CHRNA3CYP2D6CYP1A2HSD17B10
SCHEMBL10168595 0.78 CRBN (0.42) CHRNB4CHRNA3KCNA5CHRM2CHRM4
SCHEMBL10168587 0.77 PYGL (0.39) CHRNB4CHRNA3CYP2C9MAPK1
SCHEMBL10168667 0.73
SCHEMBL25466551 0.72
SCHEMBL10168596 0.72
SCHEMBL10168591 0.68 KDM5A (0.30) CYP2D6CYP1A2CYP2C9TSHRCYP2C19
SCHEMBL14507947 0.67 CHRNB4 (0.50) CHRNB4CHRNA3CYP2D6

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 CHRNB4 2625/4885CHRNA3 2203/4885F12 2070/4885

“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.