SCHEMBL10003185

SCHEMBL10003185

CCc1nc2c(nc1-c1ccc(Cl)cc1)c(OC(C)C)c(C(=O)NC1CCN(C(=O)CO)CC1)n2C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ EPHX2 P34913 1/20 0.38
▸ CNR1 P21554 5/20 0.38
▸ CNR2 P34972 3/20 0.37
▸ SMO Q99835 1/20 0.37
▸ ATF4 P18848 1/20 0.36
▸ MAPK11 Q15759 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ ENPP2 Q13822 1/20 0.35

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
SCHEMBL10003635 0.92 SMO (0.38) KDM4EHPGDHSD17B10EPHX2SMO
SCHEMBL10003903 0.83 SMO (0.38) KDM4EHPGDHSD17B10EPHX2SMO
SCHEMBL10002958 0.83 SMO (0.40) KDM4EHPGDHSD17B10CNR1SMO
SCHEMBL10003634 0.81 SMO (0.36) KDM4EHPGDHSD17B10SMO
SCHEMBL10003179 0.81 SMO (0.44) KDM4EEPHX2SMO
SCHEMBL10003768 0.81 SMO (0.49) HSD17B10EPHX2CNR1SMOENPP2
SCHEMBL10003705 0.80 SMO (0.39) EPHX2SMO
SCHEMBL10003375 0.80 SMO (0.55) KDM4EHPGDHSD17B10EPHX2CNR1
SCHEMBL10003648 0.79 GABRA2 (0.39) KDM4EHSD17B10CNR1
SCHEMBL10003227 0.79 SMO (0.43) KDM4EHPGDHSD17B10EPHX2SMO

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 KDM4E 405/4885HPGD 539/4885HSD17B10 1201/4885

“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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