SCHEMBL20003461

SCHEMBL20003461

C=C1N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)C(C)(C)N1c1ccc(N)cc1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.63
ABCG2 Q9UNQ0 1/20 0.55
HDAC1 Q13547 1/20 0.54
PGR P06401 1/20 0.52

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
SCHEMBL23080486 0.92 AR (0.66) ARABCG2PGR
SCHEMBL20003364 0.90 AR (0.64) ARABCG2PGR
SCHEMBL20003361 0.90 AR (0.77) ARABCG2HDAC1PGR
SCHEMBL21155659 0.90 AR (0.64) ARABCG2PGR
SCHEMBL20003367 0.89 AR (0.63) ARABCG2PGR
SCHEMBL21155289 0.88 AR (0.61) ARABCG2HDAC1PGR
SCHEMBL1715463 0.87 AR (0.82) ARABCG2HDAC1PGR
SCHEMBL17941171 0.85 AR (0.78) ARABCG2HDAC1PGR
SCHEMBL20003393 0.84 AR (0.64) ARABCG2HDAC1PGR
SCHEMBL20003478 0.84 AR (0.57) ARABCG2HDAC1PGR

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-20210238145-A1 DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-08-05 US disclosed
US-20210069154-A1 Treatment of Breast Cancer MEDIVATION PROSTATE THERAPEUTICS LLC 2021-03-11 US disclosed
US-20190210974-A1 DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-07-11 US disclosed
US-20180086718-A1 Diarylhydantoin Compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-03-29 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 (4 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-20180086718-A1 Diarylhydantoin Compounds BPHL, AR, SHBG AR 2/4885ABCG2 3832/4885HDAC1 183/4885
US-20190210974-A1 DIARYLHYDANTOIN COMPOUNDS BPHL, AR, SHBG AR 2/4885ABCG2 3832/4885HDAC1 183/4885
US-20210069154-A1 Treatment of Breast Cancer BRCA1, TP53, TUBB6 AR 2403/4885ABCG2 3583/4885HDAC1 2205/4885
US-20210238145-A1 DIARYLHYDANTOIN COMPOUNDS BPHL, AR, SHBG AR 2/4885ABCG2 3832/4885HDAC1 183/4885

“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.