SCHEMBL10003394

SCHEMBL10003394

CCc1nc2c(cc1-c1cccc(OC)c1)c(OCC(F)(F)F)c(C(=O)O)n2C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIA2 P42262 1/20 0.43
▸ GRIA4 P48058 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.41
▸ SCN9A Q15858 1/20 0.38
▸ AKR1C3 P42330 2/20 0.38
▸ AKR1C2 P52895 2/20 0.38
▸ AKR1C4 P17516 1/20 0.38
▸ AKR1C1 Q04828 1/20 0.38
▸ RORC P51449 1/20 0.38
▸ SRC P12931 2/20 0.37
▸ LTB4R Q15722 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ THRB P10828 1/20 0.37
▸ DGAT2 Q96PD7 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ NR1H2 P55055 1/20 0.36
▸ NR1H3 Q13133 1/20 0.36

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
SCHEMBL10003738 0.91 MAPT (0.44) HSD17B10SCN9AMAPTTHRBKDM4E
SCHEMBL10003500 0.90 PTPN11 (0.41) GRIA2GRIA4HSD17B10SCN9AMAPT
SCHEMBL10003096 0.90 GRIA2 (0.35) GRIA2GRIA4HSD17B10SCN9AKDM4E
SCHEMBL10003319 0.89 GRIA2 (0.41) GRIA2GRIA4SCN9AMAPTKDM4E
SCHEMBL10003113 0.87 CCKAR (0.37) GRIA2GRIA4SCN9AAKR1C3AKR1C2
SCHEMBL10003550 0.86 PPARG (0.40) GRIA2GRIA4HSD17B10KDM4E
SCHEMBL10004257 0.85 KDM4E (0.38) HSD17B10SCN9AKDM4EHPGDSMN1; SMN2
SCHEMBL10003810 0.85 PIK3CA (0.45) SCN9APRKAG1PRKAA1PRKAB1PTGS2
SCHEMBL10003154 0.84 PDE3B (0.38) HSD17B10SCN9AKDM4EHPGDNPSR1
SCHEMBL10003244 0.84 PTPN11 (0.39) SCN9ARORCLTB4RPTPN11PTGS2

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 GRIA2 3298/4885GRIA4 2962/4885HSD17B10 1201/4885

“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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