SCHEMBL17382011

SCHEMBL17382011

CNC(=O)Cn1nc(C)c(C)c1C

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
APAF1 O14727 1/20 0.53
RAB9A P51151 1/20 0.53
GAA P10253 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
MAPK8 P45983 1/20 0.40
CYP3A4 P08684 1/20 0.38
KDM4E B2RXH2 2/20 0.38
RECQL P46063 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.37
MCL1 Q07820 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL26944228 0.82 ALDH1A1 (0.61) ALDH1A1APAF1GAAPOLBHTT
SCHEMBL15229912 0.82 APAF1 (0.55) ALDH1A1APAF1RAB9AGAAPOLB
SCHEMBL19321634 0.80 RAB9A (0.48) ALDH1A1APAF1RAB9AGAAPOLB
SCHEMBL2562893 0.80 RAB9A (0.48) ALDH1A1RAB9AGAAPOLBHTT
SCHEMBL13066493 0.79 ALDH1A1 (1.00) ALDH1A1APAF1GAAPOLBMAPK8
SCHEMBL4744968 0.77 ALDH1A1 (0.69) ALDH1A1APAF1GAAPOLBHTT
SCHEMBL11831505 0.75 RAB9A (0.43) ALDH1A1APAF1RAB9APOLBHTT
SCHEMBL17382015 0.74 ALDH1A1 (0.65) ALDH1A1APAF1GAAPOLBHTT
SCHEMBL13066495 0.67 ALDH1A1 (0.54) ALDH1A1APAF1GAAPOLBPKM
SCHEMBL16373537 0.67 ALDH1A1 (0.46) ALDH1A1APAF1GAACYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3157929-B1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF ARES TRADING SA (CH) 2023-12-13 EP disclosed
US-20170253605-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF TOCOPHERX, INC. (US) 2017-09-07 US disclosed
WO-2015196759-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF TOCOPHERX, INC. (US) 2015-12-30 WO 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-20170253605-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR ALDH1A1 4598/4885APAF1 3140/4885RAB9A 2458/4885

“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.