SCHEMBL10292586

SCHEMBL10292586

CCc1nc2c(cc1NC(=O)c1ccccc1)c(OC(C)C)c(C(=O)NC1CCCCC1O)n2C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRPF1 P55201 1/20 0.39
▸ CNR1 P21554 4/20 0.38
▸ ACSS2 Q9NR19 1/20 0.36
▸ CCR5 P51681 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ CNR2 P34972 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HTR3E A5X5Y0 1/20 0.34
▸ HTR3B O95264 1/20 0.34
▸ HTR3A P46098 1/20 0.34
▸ HTR3D Q70Z44 1/20 0.34
▸ HTR3C Q8WXA8 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CCR8 P51685 1/20 0.34
▸ USP1 O94782 1/20 0.34

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
SCHEMBL12003652 0.90 BRPF1 (0.41) BRPF1CNR1CCR5NPSR1HTR3E
SCHEMBL10292508 0.89 BRPF1 (0.42) BRPF1CCR5NPSR1MAPTHTR3E
SCHEMBL12015466 0.87 BRD4 (0.40) BRPF1ACSS2CCR5NPSR1HTR3E
SCHEMBL10003537 0.87 BRD4 (0.40) BRPF1ACSS2CCR5NPSR1HTR3E
SCHEMBL10003543 0.87 BRD4 (0.40) BRPF1ACSS2CCR5NPSR1HTR3E
SCHEMBL10003862 0.87 BRD4 (0.40) BRPF1ACSS2CCR5NPSR1HTR3E
SCHEMBL10293043 0.85 BRPF1 (0.39) BRPF1CCR5NPSR1GAAMAPT
SCHEMBL10293044 0.84 RAB9A (0.40) BRPF1CCR5ALDH1A1
SCHEMBL10004164 0.84 BRPF1 (0.47) BRPF1CCR5GAAMAPTHDAC1
SCHEMBL10292588 0.83 BRPF1 (0.45) BRPF1CCR5GAAMAPTHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8486965-B2 Pyrrolo[2,3-b]pyridine derivative and use thereof for treatment of cancer TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-16 — — US disclosed
US-20120220569-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-30 — — US disclosed
EP-2471789-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-20120220569-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH BRPF1 1937/4885CNR1 1481/4885ACSS2 3312/4885

“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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