SCHEMBL10003250

SCHEMBL10003250

CCOC(=O)c1c(OCC(F)(F)F)c2cc(N)c(CC)cc2n1C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.42
▸ KDM4E B2RXH2 6/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ PKM P14618 1/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ HSD17B10 Q99714 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL10003697 0.90 MAPT (0.43) MAPTKDM4EALDH1A1HPGDPOLB
SCHEMBL10004330 0.83 MAPT (0.46) MAPTKDM4EALDH1A1HPGDPOLB
SCHEMBL10002900 0.81 MAPT (0.42) MAPTKDM4EALDH1A1HPGDPOLB
SCHEMBL10004289 0.81 MAPT (0.39) MAPTKDM4EALDH1A1HPGDPOLB
SCHEMBL10004365 0.81 MAPT (0.41) MAPTKDM4EALDH1A1HPGDPOLB
SCHEMBL10004403 0.80 MAPT (0.43) MAPTKDM4EALDH1A1HPGDPOLB
Hydrochloric Acid SCHEMBL10003805 0.80 MAPT (0.41) MAPTKDM4EALDH1A1HPGDPOLB
SCHEMBL10003771 0.80 ALDH1A1 (0.41) MAPTKDM4EALDH1A1HPGDPOLB
SCHEMBL10002937 0.78 MAPT (0.47) MAPTALDH1A1HPGDPOLBLMNA
SCHEMBL10003504 0.77 KDM4E (0.37) MAPTKDM4EALDH1A1HPGDLMNA

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 4783/4885KDM4E 405/4885ALDH1A1 321/4885

“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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