SCHEMBL14917461

SCHEMBL14917461

Nc1ccncc1C(=O)Nc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 3/20 0.56
HTT P42858 2/20 0.56
ROCK2 O75116 1/20 0.54
ROCK1 Q13464 1/20 0.54
TYK2 P29597 3/20 0.51
JAK2 O60674 2/20 0.51
NAMPT P43490 2/20 0.51
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
HPGD P15428 1/20 0.51
KMT2A Q03164 1/20 0.51
ATR Q13535 2/20 0.50
TAAR1 Q96RJ0 1/20 0.50
NPC1 O15118 1/20 0.50
PKM P14618 1/20 0.50
RAB9A P51151 1/20 0.50
CYP11B2 P19099 1/20 0.50
PRKDC P78527 1/20 0.49

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
SCHEMBL14917439 0.90 ROCK2 (0.66) PRKCIHTTROCK2ROCK1TYK2
SCHEMBL14917435 0.89 ALDH1A1 (0.61) PRKCIHTTNAMPTALDH1A1KDM4E
SCHEMBL6616374 0.82 MEN1 (0.65) HTTROCK2ROCK1TYK2JAK2
SCHEMBL4782636 0.81 HTT (0.67) HTTROCK2ROCK1TYK2JAK2
SCHEMBL460200 0.80 PRKCI (0.67) PRKCIHTTTYK2JAK2ALDH1A1
SCHEMBL30339468 0.80 PRKCI (0.67) PRKCIHTTTYK2JAK2ALDH1A1
SCHEMBL14917446 0.80 NPC1 (0.67) ALDH1A1KDM4ENPC1RAB9A
Hydrochloric Acid SCHEMBL9197573 0.79 ROCK2 (0.79) HTTROCK2ROCK1TYK2JAK2
SCHEMBL30505228 0.79 ALDH1A1 (0.70) PRKCIHTTNAMPTALDH1A1KDM4E
SCHEMBL2771906 0.79 ALDH1A1 (0.70) PRKCIHTTNAMPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023231996-A1 CRYSTAL FORMS OF HYDROXAMIC ACID ESTER COMPOUND AND SALT THEREOF, AND PREPARATION METHOD 深圳微芯生物科技股份有限公司 2023-12-07 WO disclosed
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 PRKCI 748/4885HTT 2347/4885ROCK2 1485/4885

“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.