Sugi Predict

Sugi Predict / Compounds / SCHEMBL3277337

SCHEMBL3277337

SCHEMBL3277337

Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 8/20 0.55
▸ PTGS1 P23219 6/20 0.55
▸ KDM4E B2RXH2 2/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ TRPC3 Q13507 3/20 0.51
▸ ORAI1 Q96D31 3/20 0.50
▸ TRPC1 P48995 1/20 0.46
▸ STIM1 Q13586 1/20 0.46
▸ TP53 P04637 2/20 0.45
▸ TRPC5 Q9UL62 1/20 0.45
▸ MAPT P10636 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ THRB P10828 1/20 0.42

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
SCHEMBL7235432 0.89 TRPC3 (0.48) PTGS2PTGS1KDM4EL3MBTL1TRPC3
SCHEMBL3283975 0.89 PTGS2 (0.54) PTGS2PTGS1KDM4EL3MBTL1TRPC3
SCHEMBL7243543 0.83 PDPK1 (0.46) PTGS2PTGS1KDM4EL3MBTL1TRPC3
SCHEMBL14198876 0.83 TRPC3 (0.69) PTGS2PTGS1TRPC3ORAI1TP53
SCHEMBL19692382 0.83 PTGS2 (0.53) PTGS2PTGS1KDM4EL3MBTL1TRPC3
SCHEMBL15420349 0.83 ORAI1 (0.53) PTGS2PTGS1KDM4EL3MBTL1TRPC3
SCHEMBL7570850 0.82 PTGS1 (0.65) PTGS2PTGS1KDM4EL3MBTL1TRPC3
SCHEMBL7315232 0.82 ORAI1 (0.79) PTGS2PTGS1TRPC3ORAI1TRPC1
SCHEMBL19692206 0.82 PTGS2 (0.49) PTGS2PTGS1KDM4EL3MBTL1TRPC3
SCHEMBL19692393 0.82 PTGS2 (0.49) PTGS2PTGS1KDM4EL3MBTL1TRPC3

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3468964-B1 MODULATORS OF SOCE, COMPOSITIONS, AND USES THEREOF UNIV DEGLI STUDI DEL PIEMONTE ORIENTALE AMEDEO AVOGADRO (IT) 2020-12-30 — — EP disclosed
US-20190300509-A1 MODULATORS OF SOCE, COMPOSITIONS, AND USES THEREOF UNIVERSITA DEGLI STUDI DEL PIEMONTE ORIENTALE "AMEDEO AVOGADRO" (IT) 2019-10-03 — — US disclosed
US-20190300509-A1 MODULATORS OF SOCE, COMPOSITIONS, AND USES THEREOF UNIVERSITA DEGLI STUDI DEL PIEMONTE ORIENTALE "AMEDEO AVOGADRO" (IT) 2019-10-03 — — US disclosed
EP-3468964-A1 MODULATORS OF SOCE, COMPOSITIONS, AND USES THEREOF Università degli Studi del Piemonte Orientale "Amedeo Avogadro" (IT) 2019-04-17 — — EP disclosed
WO-2017212414-A1 MODULATORS OF SOCE, COMPOSITIONS, AND USES THEREOF UNIVERSITÀ DEGLI STUDI DEL PIEMONTE ORIENTALE "AMEDEO AVOGADRO" (IT) 2017-12-14 — — WO disclosed
US-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-09-11 — — US disclosed
US-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-09-11 — — US disclosed
US-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-09-11 — — US disclosed
EP-2768810-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2014-08-27 — — EP disclosed
WO-2013059666-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-04-25 — — WO disclosed
US-20050234055-A1 Pyrazole derivative ASTELLAS PHARMA INC. 2005-10-20 — — US disclosed
EP-1548015-A1 NOVEL CRYSTALS YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2005-06-29 — — EP disclosed
EP-1514544-A1 ANTIALLERGIC Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-16 — — EP disclosed
EP-1512396-A1 INHIBITORS AGAINST THE ACTIVATION OF AP-1 AND NFAT Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 — — EP disclosed
EP-1510210-A1 IMMUNITY-RELATED PROTEIN KINASE INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 — — EP disclosed
EP-1510207-A1 THERAPEUTIC DRUG FOR DIABETES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 — — EP disclosed
US-6506747-B1 Method of treating an inflammatory disease which comprises administering to a patient in need of such treatment-a N-(4-(5-Ethyl-3-pyridin-3-yl-pyrazol-1-yl)phenyl)pyridine-3-carboxamide; BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-01-14 — — US disclosed
US-6348480-B1 CALCIUM CHANNEL BLOCKERS AND ANTIINFLAMMATORY AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 — — US disclosed
US-20010011090-A1 Pyrazole derivative ASTELLAS PHARMA INC. (JP) 2001-08-02 — — US disclosed
EP-1024138-A1 PYRAZOLE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2000-08-02 — — 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 (4 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-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 PTGS2 577/4885PTGS1 541/4885KDM4E 4057/4885
US-20050234055-A1 Pyrazole derivative RYR2, RYR1, NR1I3 PTGS2 1334/4885PTGS1 1069/4885KDM4E 2609/4885
US-20190300509-A1 MODULATORS OF SOCE, COMPOSITIONS, AND USES THEREOF STIM1, ORAI1, SARAF PTGS2 1333/4885PTGS1 448/4885KDM4E 2870/4885
US-20010011090-A1 Pyrazole derivative RYR1, CACNA1E, RYR2 PTGS2 1972/4885PTGS1 971/4885KDM4E 2975/4885

“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.