SCHEMBL17091328

SCHEMBL17091328

C=Cc1ccnc(Oc2c(F)cc(F)cc2F)c1C(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
TRPA1 O75762 5/20 0.34
CARM1 Q86X55 1/20 0.34
HSP90AA1 P07900 1/20 0.33
HSP90B1 P14625 1/20 0.33
S1PR3 Q99500 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
GCK P35557 1/20 0.33
NPBWR1 P48145 1/20 0.32
MCHR1 Q99705 1/20 0.32
ALPL P05186 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALOX15 P16050 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SCN9A Q15858 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TNF P01375 1/20 0.32

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
SCHEMBL15729582 0.89 GCK (0.40) MAPTHCRTR1HCRTR2GCKTDP1
SCHEMBL17212056 0.87 TSHR (0.38) MAPTCARM1HCRTR1HCRTR2TDP1
SCHEMBL19443336 0.85 TRPA1 (0.33) MAPTTRPA1CARM1S1PR3GCK
SCHEMBL15729592 0.82 TSHR (0.36) MAPTHCRTR1HCRTR2TDP1KDM4E
SCHEMBL15729546 0.82 HTR1A (0.40) MAPTGCKL3MBTL1SCN9AALDH1A1
SCHEMBL15729352 0.81 CDC7 (0.34) MAPTHCRTR1HCRTR2TDP1KDM4E
SCHEMBL15729331 0.80 CDC7 (0.36) MAPTHCRTR1HCRTR2TDP1L3MBTL1
SCHEMBL17090950 0.80 SCN9A (0.32) TRPA1ALPLSCN9AGAAKMT2A
SCHEMBL17091081 0.79 ALOX5 (0.36) TDP1ALDH1A1GAAHTTSMN1; SMN2
SCHEMBL15729606 0.78 HCRTR1 (0.35) MAPTHCRTR1HCRTR2KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2921480-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-10-11 EP disclosed
EP-2921480-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-10-11 EP disclosed
US-9777005-B2 Bicyclic heterocyclic compound containing a substituted pyrrole ring TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 US disclosed
US-9732086-B2 2017-08-15 US disclosed
US-20150307497-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-29 US disclosed
EP-2921480-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-09-23 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-20150307497-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM2, CHRM4 MAPT 1305/4885TRPA1 94/4885CARM1 215/4885

“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.