SCHEMBL10292949

SCHEMBL10292949

CCc1nc2c(cc1NC(=O)c1ccccc1)c(OC(C)C)c(C(=O)NCc1ccncc1)n2C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 8/20 0.42
▸ BRPF1 P55201 2/20 0.41
▸ CCR8 P51685 1/20 0.40
▸ MMP13 P45452 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ITGA4 P13612 1/20 0.38
▸ ITGB7 P26010 1/20 0.38
▸ BRD4 O60885 1/20 0.38

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
SCHEMBL10293264 0.95 BRPF1 (0.43) BRPF1LMNAHTTSMN1; SMN2HDAC1
SCHEMBL10293049 0.90 POLB (0.45) BRPF1LMNAHTTSMN1; SMN2HDAC1
SCHEMBL10292588 0.89 BRPF1 (0.45) BRPF1CYP3A4SMN1; SMN2HDAC1KDM4E
SCHEMBL10292589 0.88 TP53 (0.42) BRPF1HDAC1KDM4EBRD4
SCHEMBL10004164 0.86 BRPF1 (0.47) BRPF1LMNACYP3A4SMN1; SMN2HDAC1
SCHEMBL10292511 0.86 BRPF1 (0.42) BRPF1SMN1; SMN2HDAC1KDM4E
SCHEMBL10293272 0.86 BRPF1 (0.42) BRPF1SMN1; SMN2HDAC1KDM4E
SCHEMBL10292946 0.86 BRPF1 (0.42) BRPF1CYP3A4HTTSMN1; SMN2HDAC1
SCHEMBL10292619 0.86 BRPF1 (0.42) BRPF1LMNASMN1; SMN2HDAC1KDM4E
SCHEMBL10293045 0.85 HPGD (0.46) BRPF1LMNASMN1; SMN2KDM4E

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 NAMPT 970/4885BRPF1 1937/4885CCR8 3526/4885

“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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