SCHEMBL1062052

SCHEMBL1062052

COc1c(C(=O)NC2CC2)sc2c1c(=O)n(C)c1ccccc21

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.55
▸ TP53 P04637 3/20 0.55
▸ MAPT P10636 2/20 0.55
▸ BLM P54132 1/20 0.55
▸ RXFP1 Q9HBX9 1/20 0.55
▸ HSD17B10 Q99714 6/20 0.52
▸ KDM4E B2RXH2 6/20 0.52
▸ TSHR P16473 1/20 0.52
▸ CREBBP Q92793 1/20 0.52
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ GAA P10253 2/20 0.49
▸ PPARG P37231 1/20 0.49
▸ NCOA2 Q15596 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.48
▸ HPGD P15428 2/20 0.48
▸ CACNA1B Q00975 1/20 0.43
▸ APBA1 Q02410 1/20 0.43

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
SCHEMBL10314286 0.88 SIGMAR1 (0.54) TP53KDM4EALDH1A1
SCHEMBL1061621 0.87 CNR2 (0.50) POLBTP53MAPTBLMRXFP1
SCHEMBL10314285 0.85 DRD4 (0.56) KDM4EALDH1A1
SCHEMBL1061789 0.84 KDM4E (0.54) POLBTP53MAPTHSD17B10KDM4E
Trifluoroacetic Acid SCHEMBL1062029 0.84 SIGMAR1 (0.50) TP53KDM4EALDH1A1
SCHEMBL1060621 0.83 KDM4E (0.46) POLBTP53MAPTBLMRXFP1
SCHEMBL10314275 0.82 KDM4E (0.54) POLBTP53MAPTHSD17B10KDM4E
SCHEMBL1062709 0.82 POLB (0.50) POLBTP53MAPTBLMRXFP1
SCHEMBL1062670 0.82 MEN1 (0.54) TP53MAPTRXFP1HSD17B10KDM4E
SCHEMBL13708841 0.82 KDM4E (0.45) POLBTP53MAPTBLMRXFP1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247588-B1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-04-13 — — EP disclosed
EP-2247588-B1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-04-13 — — EP disclosed
US-8399449-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-19 — — US disclosed
US-8399449-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-19 — — US disclosed
US-8399449-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-19 — — US disclosed
US-8217176-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-10 — — US disclosed
US-8217176-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-10 — — US disclosed
US-8217176-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-10 — — US disclosed
US-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-06 — — US disclosed
US-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-06 — — US disclosed
US-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-06 — — US disclosed
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 — — US disclosed
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 — — US disclosed
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 — — US disclosed
WO-2009107850-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-03 — — 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-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 POLB 4449/4885TP53 3556/4885MAPT 4789/4885
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 POLB 4444/4885TP53 3584/4885MAPT 4727/4885

“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.

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