Sugi Predict

Sugi Predict / Compounds / SCHEMBL2820136

SCHEMBL2820136

SCHEMBL2820136

COc1cccc(/C=C/c2nc3ccccn3c(=O)c2-c2ccc(OC(F)(F)F)cc2)c1OC1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 1/20 0.37
▸ HCRTR1 O43613 10/20 0.36
▸ HCRTR2 O43614 10/20 0.36
▸ THRB P10828 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MCHR1 Q99705 1/20 0.34
▸ PDE4B Q07343 2/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ PPIB P23284 1/20 0.33
▸ PPIA P62937 1/20 0.33
▸ MAPT P10636 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
SCHEMBL2820864 0.91 NFE2L2 (0.40) HCRTR1HCRTR2LMNASMN1; SMN2L3MBTL1
SCHEMBL2819037 0.90 LMNA (0.39) LMNASMN1; SMN2L3MBTL1PDE4BPDE4D
SCHEMBL2819041 0.90 LMNA (0.39) LMNASMN1; SMN2L3MBTL1PDE4BPDE4D
SCHEMBL2825547 0.87 LMNA (0.38) HCRTR1HCRTR2LMNASMN1; SMN2L3MBTL1
SCHEMBL2825545 0.87 LMNA (0.38) HCRTR1HCRTR2LMNASMN1; SMN2L3MBTL1
SCHEMBL13021108 0.87 HCRTR1 (0.42) CXCR3HCRTR1HCRTR2THRBLMNA
SCHEMBL2823170 0.87 LMNA (0.36) LMNASMN1; SMN2L3MBTL1PDE4BMAPT
SCHEMBL13021125 0.87 CYP1A1 (0.39) HCRTR1HCRTR2LMNASMN1; SMN2L3MBTL1
SCHEMBL16966570 0.87 HCRTR1 (0.35) HCRTR1HCRTR2PDE4BPDE4DPPIB
SCHEMBL2820866 0.86 MAOB (0.37) THRBLMNASMN1; SMN2L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349846-B2 Fused pyrimidine derivatives as TRPV3 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2013-01-08 — — US claimed
US-20100292254-A1 Fused Pyrimidine Derivatives as Trpv3 Modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-11-18 — — US claimed
US-8349846-B2 Fused pyrimidine derivatives as TRPV3 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2013-01-08 — — US disclosed
US-8349846-B2 Fused pyrimidine derivatives as TRPV3 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2013-01-08 — — US disclosed
US-8349846-B2 Fused pyrimidine derivatives as TRPV3 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2013-01-08 — — US disclosed
US-20100292254-A1 Fused Pyrimidine Derivatives as Trpv3 Modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-11-18 — — US disclosed
US-20100292254-A1 Fused Pyrimidine Derivatives as Trpv3 Modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-11-18 — — US disclosed
US-20100292254-A1 Fused Pyrimidine Derivatives as Trpv3 Modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-11-18 — — US disclosed
WO-2009109987-A2 FUSED PYRIMIDINE DERIVATIVES AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2009-09-11 — — WO 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-20100292254-A1 Fused Pyrimidine Derivatives as Trpv3 Modulators TRPV3, TRPV1, TRPV5 CXCR3 310/4885HCRTR1 807/4885HCRTR2 620/4885

“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.