SCHEMBL10210786

SCHEMBL10210786

CN1CCCC(N2CCCC2=O)C1

nearest known ligand 0.83

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
JAK3 P52333 1/20 0.41
BRD4 O60885 1/20 0.41
BRD2 P25440 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
HTR2B P41595 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
KDM5A P29375 1/20 0.39
VNN1 O95497 2/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
CHRM1 P11229 1/20 0.35
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL10210762 1.00 JAK2 (0.41) JAK2JAK1JAK3BRD4BRD2
SCHEMBL21946382 1.00 JAK2 (0.41) JAK2JAK1JAK3BRD4BRD2
SCHEMBL12309469 0.91 KDM5A (0.42) JAK2JAK1JAK3BRD4BRD2
SCHEMBL21739494 0.87 CHRNB2 (0.45) JAK2JAK1JAK3BRD4BRD2
SCHEMBL21739324 0.87 CHRNB2 (0.45) JAK2JAK1JAK3BRD4BRD2
SCHEMBL12267931 0.87 CHRNB2 (0.45) JAK2JAK1JAK3BRD4BRD2
SCHEMBL15242574 0.85 BRD4 (0.46) JAK2JAK1JAK3BRD4BRD2
SCHEMBL14329369 0.81 HTR2B (0.36) JAK2JAK1JAK3CHRNB2CHRNB4
SCHEMBL23525931 0.79 HTR2B (0.41) BRD4BRD2CHRNB2CHRNB4CHRNA3
SCHEMBL21740358 0.79 HTR2B (0.41) BRD4BRD2CHRNB2CHRNB4CHRNA3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 JAK2 123/4885JAK1 146/4885JAK3 418/4885

“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.