SCHEMBL5038877

SCHEMBL5038877

COc1ccc(-c2cc3c(cn2)CN(C(C)=O)c2ccc(Cl)cc2C=C3)cn1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 14/20 0.53
NOTUM Q6P988 2/20 0.40
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
RECQL P46063 1/20 0.37
PRKAG1 P54619 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36

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
SCHEMBL5038876 1.00 HSD17B3 (0.53) HSD17B3NOTUMCYP11B1CYP11B2RECQL
SCHEMBL5046218 0.92 HSD17B3 (0.43) HSD17B3NOTUMCYP11B1CYP11B2
SCHEMBL5046212 0.92 HSD17B3 (0.43) HSD17B3NOTUMCYP11B1CYP11B2
SCHEMBL6387449 0.89 HSD17B3 (0.56) HSD17B3NOTUMCYP11B1CYP11B2
SCHEMBL6387452 0.89 HSD17B3 (0.56) HSD17B3NOTUMCYP11B1CYP11B2
SCHEMBL5043772 0.87 HSD17B3 (0.42) HSD17B3CYP11B1CYP11B2
SCHEMBL5043770 0.87 HSD17B3 (0.42) HSD17B3CYP11B1CYP11B2
SCHEMBL5042909 0.86 HSD17B3 (0.50) HSD17B3NOTUM
SCHEMBL5042904 0.86 HSD17B3 (0.50) HSD17B3NOTUM
SCHEMBL15063045 0.85 HSD17B3 (0.52) HSD17B3NOTUM

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
EP-1725565-B1 FUSED HETEROTRICYCLIC COMPOUNDS AS INHIBITORS OF 17B-HYDROXYSTEROID DEHYDROGENASE 3 BRISTOL MYERS SQUIBB CO (US) 2013-07-03 EP disclosed
US-7378426-B2 Fused heterotricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-20050192310-A1 Fused heterotricyclic compounds as inhibitors of 17beta-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY 2005-09-01 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-20050192310-A1 Fused heterotricyclic compounds as inhibitors of 17beta-hydroxysteroid dehydrogenase 3 HSD17B3, HSD17B1, HSD17B2 HSD17B3 1/4885NOTUM 907/4885CYP11B1 24/4885

“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.