SCHEMBL10003686

SCHEMBL10003686

CCc1nc2c(c(OC(C)C)c(C(=O)Nc3ccccc3)n2C)c(=O)n1Cc1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 4/20 0.48
▸ KMT2A Q03164 2/20 0.44
▸ ALDH1A1 P00352 4/20 0.42
▸ TP53 P04637 4/20 0.42
▸ NPSR1 Q6W5P4 3/20 0.42
▸ TSHR P16473 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ MAPT P10636 6/20 0.41
▸ GAA P10253 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ FSCN1 Q16658 1/20 0.39

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
SCHEMBL10292840 0.94 PTGES (0.43) PTGESKMT2AALDH1A1TP53NPSR1
SCHEMBL11990835 0.93 PTGES (0.46) PTGESKMT2AALDH1A1TP53NPSR1
SCHEMBL10292839 0.92 PTGES (0.46) PTGESKMT2AALDH1A1TP53NPSR1
SCHEMBL10292461 0.92 KMT2A (0.43) PTGESKMT2AALDH1A1NPSR1TSHR
SCHEMBL11990834 0.91 PTGES (0.46) PTGESKMT2AALDH1A1TP53NPSR1
SCHEMBL10292550 0.90 KMT2A (0.43) PTGESKMT2AALDH1A1TP53NPSR1
SCHEMBL10004586 0.90 KMT2A (0.48) PTGESKMT2AALDH1A1TP53NPSR1
SCHEMBL10292542 0.88 KMT2A (0.44) PTGESKMT2AALDH1A1TP53NPSR1
SCHEMBL11990855 0.88 KMT2A (0.47) PTGESKMT2AALDH1A1TP53NPSR1
SCHEMBL10292545 0.87 KMT2A (0.43) PTGESKMT2AALDH1A1TP53NPSR1

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-2471793-B1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-10-05 — — EP disclosed
US-8614208-B2 Fused heterocyclic ring derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-12-24 — — US disclosed
US-20120214795-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-23 — — US disclosed
US-20120214795-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-23 — — US disclosed
US-20120214795-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-23 — — US disclosed
EP-2471793-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-07-04 — — EP 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-20120214795-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH PTGES 1468/4885KMT2A 423/4885ALDH1A1 321/4885

“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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