SCHEMBL14917435

SCHEMBL14917435

Nc1ccncc1C(=O)Nc1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
KDM4E B2RXH2 1/20 0.61
HPGD P15428 1/20 0.61
CYP11B2 P19099 6/20 0.60
LMNA P02545 2/20 0.59
HIF1A Q16665 1/20 0.59
CYP11B1 P15538 4/20 0.58
PRKCI P41743 1/20 0.58
NAMPT P43490 5/20 0.58
HTT P42858 1/20 0.56
KCNMA1 Q12791 1/20 0.55
PTPN11 Q06124 1/20 0.54
SORT1 Q99523 1/20 0.53

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
SCHEMBL14917461 0.89 PRKCI (0.56) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL2771906 0.88 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL30505228 0.88 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL30339093 0.88 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL14917439 0.85 ROCK2 (0.66) ALDH1A1KDM4EPRKCIHTT
SCHEMBL23045333 0.81 KCNMA1 (0.74) ALDH1A1MEN1KMT2AKDM4ECYP11B2
SCHEMBL6034144 0.81 SORT1 (0.72) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL13163097 0.81 CYP11B2 (0.63) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL13966172 0.81 CYP11B2 (0.64) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL14917450 0.80 CYP11B2 (0.64) ALDH1A1MEN1KMT2AKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-8772320-B2 2014-07-08 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK ALDH1A1 1638/4885MEN1 2870/4885KMT2A 1162/4885

“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.