SCHEMBL22095232

SCHEMBL22095232

COc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.90

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AURKA O14965 9/20 0.90
MAPT P10636 3/20 0.83
TP53 P04637 1/20 0.83
CDK2 P24941 7/20 0.82
CDK1 P06493 4/20 0.82
CDK4 P11802 4/20 0.82
CDK7 P50613 4/20 0.82
CDK6 Q00534 4/20 0.82
CDK5 Q00535 4/20 0.82
MEN1 O00255 2/20 0.81
KMT2A Q03164 2/20 0.81
ALDH1A1 P00352 1/20 0.76
RAB9A P51151 1/20 0.76
KDM4E B2RXH2 1/20 0.74
LMNA P02545 1/20 0.74

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
SCHEMBL6692762 0.95 AURKA (1.00) AURKAMAPTTP53CDK2CDK1
SCHEMBL22095571 0.91 MEN1 (0.89) AURKAMAPTTP53CDK2MEN1
SCHEMBL23928545 0.90 AURKA (0.76) AURKAMAPTTP53CDK2CDK1
SCHEMBL22095567 0.89 AURKA (0.81) AURKAMAPTTP53CDK2CDK1
SCHEMBL6680316 0.88 AURKA (0.88) AURKAMAPTTP53CDK2CDK1
SCHEMBL22095086 0.88 AURKA (0.85) AURKAMAPTTP53CDK2MEN1
SCHEMBL22095087 0.87 AURKA (0.84) AURKAMAPTTP53CDK2CDK1
SCHEMBL22095650 0.86 AURKA (1.00) AURKAMAPTTP53CDK2CDK1
SCHEMBL22095290 0.84 MEN1 (0.74) AURKAMAPTTP53CDK2MEN1
SCHEMBL22095188 0.84 MAPT (0.78) AURKAMAPTTP53CDK2MEN1

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
US-11548875-B2 Inhibitor compounds for male contraception UNIVERSITY OF WASHINGTON (US) 2023-01-10 US disclosed
US-20210332030-A1 INHIBITOR COMPOUNDS FOR MALE CONTRACEPTION UNIVERSITY OF WASHINGTON (US) 2021-10-28 US disclosed
WO-2020123855-A1 INHIBITOR COMPOUNDS FOR MALE CONTRACEPTION UNIVERSITY OF WASHINGTON (US) 2020-06-18 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 (2 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-20210332030-A1 INHIBITOR COMPOUNDS FOR MALE CONTRACEPTION ALDH1A1, ALDH3A1, ALDH16A1 AURKA 3852/4885MAPT 4083/4885TP53 4039/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 AURKA 3852/4885MAPT 4083/4885TP53 4039/4885

“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.