SCHEMBL10003156

SCHEMBL10003156

CCOC(=O)c1c(OCC(F)(F)F)c2cc(-c3ccccc3)c(CC)nc2n1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.41
▸ HPGD P15428 5/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ NPC1 O15118 7/20 0.40
▸ RAB9A P51151 7/20 0.40
▸ ALDH1A1 P00352 7/20 0.40
▸ SMN1; SMN2 Q16637 7/20 0.40
▸ GAA P10253 2/20 0.40
▸ CYP1A2 P05177 3/20 0.39
▸ CYP2C9 P11712 3/20 0.39
▸ CYP2C19 P33261 3/20 0.39
▸ JMJD6 Q6NYC1 1/20 0.39
▸ GABRA2 P47869 2/20 0.39
▸ GABRB2 P47870 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 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
SCHEMBL10003955 0.93 ALDH1A1 (0.40) KDM4EHPGDHSD17B10TSHRCASP1
SCHEMBL10003298 0.93 ALDH1A1 (0.37) KDM4EHPGDALDH1A1GAAGABRA2
SCHEMBL10003637 0.92 MAPT (0.40) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL10003348 0.92 ALDH1A1 (0.44) KDM4EHPGDHSD17B10NPC1RAB9A
SCHEMBL10003679 0.92 MLYCD (0.40) KDM4EHPGDHSD17B10ALDH1A1GAA
SCHEMBL10004342 0.91 CSNK1D (0.43) KDM4EHPGDHSD17B10TSHRCASP1
SCHEMBL10003145 0.91 KDM4E (0.45) KDM4EHPGDHSD17B10TSHRCASP1
SCHEMBL10002806 0.91 CCKAR (0.37) KDM4EHPGDHSD17B10TSHRCASP1
SCHEMBL10004077 0.91 GABRA2 (0.41) KDM4EHPGDHSD17B10NPC1RAB9A
SCHEMBL10003096 0.90 GRIA2 (0.35) KDM4EHPGDHSD17B10TSHRCASP1

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 5 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-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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