SCHEMBL10003525

SCHEMBL10003525

CCOC(=O)c1c(OCC(F)(F)F)c2cc(Oc3cccc(OC)c3)c(CC)nc2n1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.39
▸ THRB P10828 1/20 0.39
▸ ELANE P08246 4/20 0.39
▸ KDM4E B2RXH2 4/20 0.38
▸ CSNK1D P48730 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPSR1 Q6W5P4 3/20 0.36
▸ PPARG P37231 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NCOA2 Q15596 1/20 0.36
▸ NCOA1 Q15788 1/20 0.36
▸ NCOA3 Q9Y6Q9 1/20 0.36
▸ MTNR1B P49286 1/20 0.36
▸ HPGD P15428 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HSD17B10 Q99714 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
SCHEMBL10003550 0.91 PPARG (0.40) KDM4EPPARGMTNR1BHSD17B10KMT2A
SCHEMBL10003738 0.86 MAPT (0.44) MAPTTHRBELANEKDM4ECSNK1D
SCHEMBL10003100 0.84 CDC25B (0.47) MAPTKDM4EMTNR1BTP53CDC25A
SCHEMBL12003592 0.82 POLB (0.42) MAPTTHRBKDM4EALDH1A1SMN1; SMN2
SCHEMBL10003811 0.81 SCN9A (0.40) MAPTKDM4EALDH1A1TSHRHSD17B10
SCHEMBL10003626 0.80 ALDH1A1 (0.46) MAPTALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL10003693 0.80 CDC25B (0.41) MAPTSMN1; SMN2NPSR1TP53GAA
SCHEMBL10002785 0.79 SMO (0.50) KDM4EALDH1A1SMN1; SMN2TSHRHPGD
SCHEMBL10003799 0.79 NPC1 (0.43) MAPTELANEKDM4EALDH1A1SMN1; SMN2
SCHEMBL12003634 0.79 KDM4E (0.38) MAPTKDM4EALDH1A1SMN1; SMN2NPC1

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 2094/4885ELANE 4378/4885

“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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