SCHEMBL10003685

SCHEMBL10003685

CCOC(=O)c1c(O)c2c(=O)n(-c3c(F)cccc3F)c(CC)cc2n1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ GAA P10253 3/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ PKM P14618 2/20 0.39
▸ TRPV4 Q9HBA0 1/20 0.38
▸ STAT3 P40763 1/20 0.36
▸ PTPN11 Q06124 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ PABPC1 P11940 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ PTGES O14684 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ GLA P06280 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
SCHEMBL16564595 0.87 PDE7A (0.36) ALOX15TSHR
SCHEMBL10003684 0.86 MAPT (0.44) ALDH1A1MAPTGAAKDM4EPKM
SCHEMBL10003782 0.84 MAPT (0.43) ALDH1A1MAPTGAAKDM4EPKM
SCHEMBL10004543 0.84 ALDH1A1 (0.57) ALDH1A1MAPTGAAKDM4EPKM
SCHEMBL10004152 0.84 SMO (0.47) ALDH1A1MAPTKDM4EPKMMEN1
SCHEMBL10004416 0.80 MAPT (0.44) ALDH1A1MAPTGAAKDM4EPKM
SCHEMBL10004663 0.80 MAPT (0.41) ALDH1A1MAPTGAAKDM4EPKM
SCHEMBL1056839 0.78 KMT2A (0.49) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL10004203 0.77 CA12 (0.49) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL1061681 0.77 CXCR3 (0.45) ALDH1A1MAPTGAAPKMMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8907089-B2 Fused heterocyclic ring derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-09 — — US disclosed
US-20120220570-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-30 — — US disclosed
EP-2471790-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-20120220570-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH ALDH1A1 321/4885MAPT 4783/4885GAA 3144/4885

“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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