Sugi Predict

Sugi Predict / Compounds / SCHEMBL5046141

SCHEMBL5046141

SCHEMBL5046141

CNC(=O)c1ccccc1-c1ccc2c(n1)CN(C(C)=O)c1ccccc1/C=C\2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B3 P37058 3/20 0.43
▸ NOTUM Q6P988 1/20 0.41
▸ PLK1 P53350 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ P2RX4 Q99571 2/20 0.33
▸ MTNR1A P48039 2/20 0.33
▸ MTNR1B P49286 2/20 0.33
▸ AR P10275 1/20 0.33
▸ P2RX1 P51575 1/20 0.33
▸ P2RX3 P56373 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ ALOX5AP P20292 1/20 0.32
▸ FEN1 P39748 1/20 0.32
▸ PDK2 Q15119 1/20 0.32
▸ SCD5 Q86SK9 1/20 0.32
▸ CREBBP Q92793 1/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ CGAS Q8N884 1/20 0.32

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
SCHEMBL5046143 1.00 HSD17B3 (0.43) HSD17B3NOTUMPLK1KDM4EL3MBTL1
SCHEMBL15062969 0.89 HSD17B3 (0.53) HSD17B3NOTUMKDM4EL3MBTL1CGAS
SCHEMBL15062968 0.89 HSD17B3 (0.53) HSD17B3NOTUMKDM4EL3MBTL1CGAS
SCHEMBL5042875 0.89 NOTUM (0.45) HSD17B3NOTUMP2RX4MTNR1AMTNR1B
SCHEMBL5042880 0.89 NOTUM (0.45) HSD17B3NOTUMP2RX4MTNR1AMTNR1B
SCHEMBL15063092 0.88 HSD17B3 (0.55) HSD17B3NOTUML3MBTL1
SCHEMBL15063091 0.88 HSD17B3 (0.55) HSD17B3NOTUML3MBTL1
SCHEMBL5044265 0.88 NOTUM (0.44) HSD17B3NOTUMKDM4EL3MBTL1P2RX4
SCHEMBL5044271 0.88 NOTUM (0.44) HSD17B3NOTUMKDM4EL3MBTL1P2RX4
SCHEMBL5046219 0.79 HSD17B3 (0.42) HSD17B3NOTUMP2RX4MTNR1AMTNR1B

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 5 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-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 1/4885NOTUM 907/4885PLK1 972/4885

“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.