SCHEMBL2759638

SCHEMBL2759638

CCc1nc(-c2cccnc2)cs1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.61
AXL P30530 1/20 0.61
PBRM1 Q86U86 1/20 0.61
MKNK1 Q9BUB5 1/20 0.61
MKNK2 Q9HBH9 1/20 0.61
RAB9A P51151 5/20 0.58
NPC1 O15118 3/20 0.58
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MAPK1 P28482 1/20 0.52
ADRB3 P13945 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
GAA P10253 1/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51

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
SCHEMBL1755714 0.81 LOXL2 (0.64) RAB9ANPC1ALDH1A1KDM4EMAPK1
SCHEMBL20721653 0.80 CYP19A1 (0.56) CYP19A1AXLPBRM1MKNK1MKNK2
SCHEMBL9571662 0.78 CYP19A1 (0.67) CYP19A1AXLPBRM1MKNK1MKNK2
Bromide SCHEMBL9342058 0.77 CYP19A1 (0.65) CYP19A1AXLPBRM1MKNK1MKNK2
SCHEMBL23924237 0.76 CYP19A1 (0.69) CYP19A1AXLPBRM1MKNK1MKNK2
SCHEMBL6196239 0.76 CYP19A1 (1.00) CYP19A1AXLPBRM1MKNK1MKNK2
SCHEMBL128811 0.76 CYP19A1 (0.69) CYP19A1AXLPBRM1MKNK1MKNK2
SCHEMBL30098510 0.76 CYP19A1 (0.69) CYP19A1AXLPBRM1MKNK1MKNK2
SCHEMBL5522127 0.76 RAB9A (0.67) CYP19A1AXLPBRM1MKNK1MKNK2
SCHEMBL6269851 0.75 CYP19A1 (0.49) CYP19A1AXLPBRM1MKNK1MKNK2

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-9321731-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-04-26 US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 CYP19A1 2789/4885AXL 4496/4885PBRM1 519/4885

“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.