SCHEMBL10003897

SCHEMBL10003897

CCc1cc2c(nc1-c1cccs1)c(OC(C)C)c(C(=O)NC1CCN(C(=O)CO)CC1)n2C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 1/20 0.42
▸ F10 P00742 1/20 0.37
▸ LMNA P02545 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ QPCT Q16769 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL10003182 0.88 SMO (0.47) SMONPSR1NPC1ALDH1A1HPGD
SCHEMBL10003517 0.88 SMO (0.41) SMOLMNANPC1RAB9AALDH1A1
SCHEMBL10003242 0.86 SMO (0.44) SMONPSR1MEN1KMT2AALDH1A1
SCHEMBL10004046 0.85 SMO (0.45) SMOMEN1KMT2AALDH1A1TP53
SCHEMBL10003227 0.85 SMO (0.43) SMOLMNAHPGDSMN1; SMN2
SCHEMBL10002882 0.85 SMO (0.46) SMO
SCHEMBL10002959 0.85 SMO (0.44) SMONPC1RAB9AKMT2A
SCHEMBL10003899 0.83 SMO (0.48) SMONPSR1MEN1KMT2A
SCHEMBL10003689 0.83 SMO (0.42) SMOMEN1KMT2AALDH1A1TP53
SCHEMBL10003440 0.81 SMO (0.45) SMOALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471789-B9 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-03-25 — — EP disclosed
EP-2471789-B1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-09-17 — — EP disclosed
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-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-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
US-20120220569-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-30 — — 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 SMO 1/4885F10 3388/4885LMNA 4452/4885

“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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