SCHEMBL23743263

SCHEMBL23743263

c1ccc(-c2nc(-c3cccnc3)cs2)nc1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 12/20 0.73
RAB9A P51151 4/20 0.72
NPC1 O15118 2/20 0.72
AXL P30530 1/20 0.71
PBRM1 Q86U86 1/20 0.71
MKNK1 Q9BUB5 1/20 0.71
MKNK2 Q9HBH9 1/20 0.71
KDM4E B2RXH2 2/20 0.68
ALDH1A1 P00352 2/20 0.68
CYP2A6 P11509 1/20 0.65
HPGDS O60760 1/20 0.62
TP53 P04637 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
MAPK1 P28482 1/20 0.58

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
SCHEMBL17014755 0.85 RAB9A (0.66) CYP19A1RAB9ANPC1KDM4EALDH1A1
SCHEMBL30128572 0.84 CYP19A1 (1.00) CYP19A1RAB9ANPC1AXLPBRM1
SCHEMBL19051411 0.84 CYP19A1 (1.00) CYP19A1RAB9ANPC1AXLPBRM1
SCHEMBL6196239 0.84 CYP19A1 (1.00) CYP19A1RAB9ANPC1AXLPBRM1
SCHEMBL7495850 0.81 RAB9A (1.00) CYP19A1RAB9ANPC1AXLPBRM1
SCHEMBL17014786 0.81 CYP19A1 (1.00) CYP19A1RAB9ANPC1AXLPBRM1
SCHEMBL1741719 0.80 CYP19A1 (0.79) CYP19A1RAB9ANPC1KDM4EALDH1A1
[2,3'']Bipyridinyl SCHEMBL29389597 0.80 CYP2A6 (1.00) CYP19A1RAB9ANPC1KDM4EALDH1A1
[2,3'']Bipyridinyl SCHEMBL998601 0.80 CYP2A6 (1.00) CYP19A1RAB9ANPC1KDM4EALDH1A1
[2,3'']Bipyridinyl SCHEMBL29360744 0.80 CYP2A6 (1.00) CYP19A1RAB9ANPC1KDM4EALDH1A1

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-20210246109-A1 POTENT AND SELECTIVE INHIBITORS OF CYTOCHROME P450 UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2021-08-12 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-20210246109-A1 POTENT AND SELECTIVE INHIBITORS OF CYTOCHROME P450 CYP11B1, CYP1B1, CYP27A1 CYP19A1 11/4885RAB9A 1418/4885NPC1 751/4885

“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.