Sugi Predict

Sugi Predict / Compounds / SCHEMBL5533620

SCHEMBL5533620

SCHEMBL5533620

CCOC(=O)c1cnn(-c2ccc(N)cc2)c1C(F)(F)F

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPC1 P48995 2/20 0.66
▸ TRPC3 Q13507 2/20 0.66
▸ STIM1 Q13586 2/20 0.66
▸ ORAI1 Q96D31 2/20 0.66
▸ STIM2 Q9P246 2/20 0.66
▸ MAPT P10636 8/20 0.61
▸ ALDH1A1 P00352 9/20 0.60
▸ RAB9A P51151 2/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ TSHR P16473 1/20 0.59
▸ HPGD P15428 7/20 0.57
▸ NPC1 O15118 1/20 0.55
▸ KDM4E B2RXH2 7/20 0.54
▸ L3MBTL1 Q9Y468 4/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ GAA P10253 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ CYP1A2 P05177 2/20 0.53
▸ CYP2C9 P11712 2/20 0.53

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
SCHEMBL21419596 0.90 TRPC1 (0.68) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL8345184 0.89 TRPC1 (0.67) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL1194642 0.89 TRPC1 (0.67) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL19692480 0.88 TRPC1 (0.66) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL2325526 0.88 MAPT (0.76) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL1814204 0.88 ALDH1A1 (0.67) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL12931795 0.87 TRPC1 (0.66) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL2722465 0.87 TRPC1 (0.64) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL21604763 0.86 TRPC1 (0.64) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL21406871 0.86 TRPC1 (0.73) TRPC1TRPC3STIM1ORAI1STIM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7087634-B2 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION (US) 2006-08-08 — — US claimed
US-20030236412-A1 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION 2003-12-25 — — US claimed
US-6569885-B1 Such as 1-(4-bromophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid ethyl ester; side effect reduction; for treatment of central nervous system disorders ICOS CORPORATION 2003-05-27 — — US claimed
EP-3468964-B1 MODULATORS OF SOCE, COMPOSITIONS, AND USES THEREOF UNIV DEGLI STUDI DEL PIEMONTE ORIENTALE AMEDEO AVOGADRO (IT) 2020-12-30 — — EP disclosed
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
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-7247635-B2 Pyrazole derivative ASTELLAS PHARMA INC. (JP) 2007-07-24 — — US disclosed
US-6958339-B2 Pyrazole derivative ASTELLAS PHARMA INC. (JP) 2005-10-25 — — US disclosed
US-20050234055-A1 Pyrazole derivative ASTELLAS PHARMA INC. 2005-10-20 — — US disclosed
US-20030236412-A1 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION 2003-12-25 — — US disclosed
US-6569885-B1 Such as 1-(4-bromophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid ethyl ester; side effect reduction; for treatment of central nervous system disorders ICOS CORPORATION 2003-05-27 — — US disclosed
EP-1248781-A1 PYRAZOLE CYCLIC AMP-SPECIFIC PDE INHIBITORS ICOS CORPORATION (US) 2002-10-16 — — EP 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
WO-2001046172-A1 PYRAZOLE CYCLIC AMP-SPECIFIC PDE INHIBITORS ICOS CORPORATION (US) 2001-06-28 — — WO 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-20050234055-A1 Pyrazole derivative RYR2, RYR1, NR1I3 TRPC1 77/4885TRPC3 6/4885STIM1 57/4885
US-20190300509-A1 MODULATORS OF SOCE, COMPOSITIONS, AND USES THEREOF STIM1, ORAI1, SARAF TRPC1 11/4885TRPC3 12/4885STIM1 1/4885
US-20030236412-A1 Cyclic AMP-specific phosphodiesterase inhibitors PDE4A, PDE4B, PDE7A TRPC1 3392/4885TRPC3 2445/4885STIM1 4149/4885
US-20010011090-A1 Pyrazole derivative RYR1, CACNA1E, RYR2 TRPC1 43/4885TRPC3 32/4885STIM1 88/4885

“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.