SCHEMBL5043770

SCHEMBL5043770

COc1ccc(-c2cc3c(cn2)CN(C(C)=O)c2ccccc2/C=C\3)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 5/20 0.42
IDH1 O75874 1/20 0.39
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
KCNH2 Q12809 2/20 0.36
HPGD P15428 1/20 0.36
FYN P06241 1/20 0.35
USP30 Q70CQ3 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
KLK3 P07288 1/20 0.35
FFAR2 O15552 1/20 0.35
SCD O00767 1/20 0.35
SCD5 Q86SK9 1/20 0.35

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
SCHEMBL5043772 1.00 HSD17B3 (0.42) HSD17B3IDH1MKNK1MKNK2CYP11B1
SCHEMBL5046224 0.90 IDH1 (0.42) HSD17B3IDH1MKNK1MKNK2CYP11B1
SCHEMBL5046217 0.90 IDH1 (0.42) HSD17B3IDH1MKNK1MKNK2CYP11B1
SCHEMBL4797846 0.88 HSD17B3 (0.46) HSD17B3IDH1MKNK1MKNK2CYP11B1
SCHEMBL4797834 0.88 HSD17B3 (0.46) HSD17B3IDH1MKNK1MKNK2CYP11B1
SCHEMBL5038877 0.87 HSD17B3 (0.53) HSD17B3CYP11B1CYP11B2
SCHEMBL5046212 0.87 HSD17B3 (0.43) HSD17B3IDH1MKNK1MKNK2CYP11B1
SCHEMBL5046218 0.87 HSD17B3 (0.43) HSD17B3IDH1MKNK1MKNK2CYP11B1
SCHEMBL5038876 0.87 HSD17B3 (0.53) HSD17B3CYP11B1CYP11B2
SCHEMBL5048370 0.86 HSD17B3 (0.48) HSD17B3CYP11B1CYP11B2

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 6 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
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 1/4885IDH1 75/4885MKNK1 2609/4885

“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.