SCHEMBL5046261

SCHEMBL5046261

COc1ccc(-c2nc3c(cc2F)CN(C(C)=O)c2cc(Cl)ccc2/C=C\3)cn1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 13/20 0.40
NOTUM Q6P988 2/20 0.35
ERN1 O75460 1/20 0.35
USP30 Q70CQ3 1/20 0.34
ADORA2B P29275 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
ROCK1 Q13464 1/20 0.34
MAPK1 P28482 1/20 0.33

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
SCHEMBL5046265 1.00 HSD17B3 (0.40) HSD17B3NOTUMERN1USP30ADORA2B
SCHEMBL5044312 0.93 HSD17B3 (0.47) HSD17B3NOTUMERN1USP30ADORA2B
SCHEMBL5044311 0.93 HSD17B3 (0.47) HSD17B3NOTUMERN1USP30ADORA2B
SCHEMBL5048224 0.92 USP30 (0.39) HSD17B3ERN1USP30
SCHEMBL5048222 0.92 USP30 (0.39) HSD17B3ERN1USP30
SCHEMBL5043383 0.89 HSD17B3 (0.38) HSD17B3ERN1USP30ADORA2B
SCHEMBL5043385 0.89 HSD17B3 (0.38) HSD17B3ERN1USP30ADORA2B
SCHEMBL5048507 0.87 ELANE (0.38) HSD17B3USP30
SCHEMBL5048505 0.87 ELANE (0.38) HSD17B3USP30
SCHEMBL5038692 0.86 HSD17B3 (0.42) 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 8 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
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-7378426-B2 Fused heterotricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-7378426-B2 Fused heterotricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
EP-1725565-A2 FUSED HETEROTRICYCLIC COMPOUNDS AS INHIBITORS OF 17B-HYDROXYSTEROID DEHYDROGENASE 3 Bristol-Myers Squibb Company (US) 2006-11-29 EP disclosed
WO-2005084295-A2 FUSED HETEROTRICYCLIC COMPOUNDS AS INHIBITORS OF 17B-HYDROXYSTEROID DEHYDROGENASE 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-15 WO 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 907/4885ERN1 3167/4885

“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.