SCHEMBL10003738

SCHEMBL10003738

CCOC(=O)c1c(OCC(F)(F)F)c2cc(-c3cccc(OC)c3)c(CC)nc2n1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.44
▸ THRB P10828 1/20 0.44
▸ CSNK1D P48730 1/20 0.43
▸ KDM4E B2RXH2 6/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ HPGD P15428 3/20 0.41
▸ TP53 P04637 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ NPSR1 Q6W5P4 3/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ ELANE P08246 2/20 0.39
▸ FOS P01100 1/20 0.38
▸ JUN P05412 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ SCN9A Q15858 1/20 0.37

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
SCHEMBL12003592 0.91 POLB (0.42) MAPTTHRBKDM4EALDH1A1HPGD
SCHEMBL10003394 0.91 GRIA2 (0.43) MAPTTHRBKDM4EHPGDHSD17B10
SCHEMBL10004342 0.90 CSNK1D (0.43) MAPTCSNK1DKDM4EALDH1A1HPGD
SCHEMBL10003156 0.89 KDM4E (0.41) MAPTCSNK1DKDM4EALDH1A1HPGD
SCHEMBL10002806 0.88 CCKAR (0.37) MAPTKDM4EALDH1A1HPGDTP53
SCHEMBL10003525 0.86 MAPT (0.39) MAPTTHRBCSNK1DKDM4EALDH1A1
SCHEMBL10003145 0.86 KDM4E (0.45) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL10003298 0.86 ALDH1A1 (0.37) MAPTKDM4EALDH1A1HPGD
SCHEMBL10003955 0.86 ALDH1A1 (0.40) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL10003344 0.85 PIK3CA (0.45) MAPTALDH1A1PTGS2

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 MAPT 4783/4885THRB 2094/4885CSNK1D 2249/4885

“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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