SCHEMBL22095014

SCHEMBL22095014

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

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AURKA O14965 12/20 0.80
KDM5B Q9UGL1 1/20 0.76
MEN1 O00255 2/20 0.76
KMT2A Q03164 2/20 0.76
SMN1; SMN2 Q16637 2/20 0.76
RAB9A P51151 1/20 0.76
MAPT P10636 2/20 0.73
TP53 P04637 2/20 0.73
CDK2 P24941 4/20 0.68

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
SCHEMBL22095314 0.94 AURKA (0.76) AURKAKDM5BMEN1KMT2ASMN1; SMN2
SCHEMBL22095046 0.92 AURKA (0.81) AURKAKDM5BMEN1KMT2ASMN1; SMN2
SCHEMBL22095059 0.92 AURKA (0.67) AURKAKDM5BMEN1KMT2ASMN1; SMN2
SCHEMBL22095290 0.91 MEN1 (0.74) AURKAKDM5BMEN1KMT2ASMN1; SMN2
SCHEMBL22095286 0.89 KDM5B (0.95) AURKAKDM5BMEN1KMT2ASMN1; SMN2
SCHEMBL22095087 0.89 AURKA (0.84) AURKAMEN1KMT2AMAPTTP53
SCHEMBL22095548 0.89 MAPT (0.81) AURKAKDM5BMEN1KMT2ASMN1; SMN2
SCHEMBL22095268 0.87 AURKA (1.00) AURKAKDM5BMEN1KMT2ASMN1; SMN2
SCHEMBL22095213 0.87 AURKA (0.61) AURKAKDM5BMEN1KMT2ASMN1; SMN2
SCHEMBL28498019 0.87 KDM5B (1.00) AURKAKDM5BMEN1KMT2ASMN1; SMN2

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 3852/4885KDM5B 363/4885MEN1 3040/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 AURKA 3852/4885KDM5B 363/4885MEN1 3040/4885

“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.