SCHEMBL22095086

SCHEMBL22095086

Cc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.85

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AURKA O14965 8/20 0.85
CDK2 P24941 6/20 0.81
KDM5B Q9UGL1 1/20 0.81
MEN1 O00255 3/20 0.80
KMT2A Q03164 3/20 0.80
RAB9A P51151 2/20 0.80
SMN1; SMN2 Q16637 1/20 0.80
ALDH1A1 P00352 1/20 0.80
MAPT P10636 3/20 0.78
KDM4E B2RXH2 1/20 0.78
LMNA P02545 1/20 0.78
TP53 P04637 2/20 0.77

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
SCHEMBL22095571 0.94 MEN1 (0.89) AURKACDK2MEN1KMT2ARAB9A
SCHEMBL22095286 0.92 KDM5B (0.95) AURKACDK2KDM5BMEN1KMT2A
SCHEMBL22095268 0.90 AURKA (1.00) AURKACDK2KDM5BMEN1KMT2A
SCHEMBL28498019 0.90 KDM5B (1.00) AURKACDK2KDM5BMEN1KMT2A
SCHEMBL22095232 0.88 AURKA (0.90) AURKACDK2MEN1KMT2ARAB9A
SCHEMBL22095056 0.88 AURKA (0.80) AURKACDK2KDM5BMEN1KMT2A
SCHEMBL22095290 0.87 MEN1 (0.74) AURKACDK2KDM5BMEN1KMT2A
SCHEMBL22095188 0.87 MAPT (0.78) AURKACDK2MEN1KMT2ARAB9A
SCHEMBL22095616 0.87 MEN1 (0.77) AURKACDK2MEN1KMT2ARAB9A
SCHEMBL23928681 0.86 MEN1 (0.73) AURKACDK2KDM5BMEN1KMT2A

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 3852/4885CDK2 1162/4885KDM5B 363/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 AURKA 3852/4885CDK2 1162/4885KDM5B 363/4885

“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.