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Sugi Predict / Compounds / SCHEMBL19692102

SCHEMBL19692102

SCHEMBL19692102

CCOC(=O)c1cnn(-c2ccc(-c3cn(-c4ccc(Cl)cc4)nn3)cc2)c1C(F)(F)F

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPC1 P48995 4/20 0.73
▸ TRPC3 Q13507 4/20 0.73
▸ STIM1 Q13586 4/20 0.73
▸ ORAI1 Q96D31 4/20 0.73
▸ STIM2 Q9P246 2/20 0.73
▸ MAPT P10636 4/20 0.60
▸ KDM4E B2RXH2 6/20 0.52
▸ HPGD P15428 6/20 0.52
▸ L3MBTL1 Q9Y468 4/20 0.52
▸ ALDH1A1 P00352 7/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ GAA P10253 4/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ PTGS2 P35354 2/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ POLB P06746 1/20 0.44

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
SCHEMBL19706388 1.00 TRPC1 (0.73) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL19692335 0.92 TRPC1 (0.79) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL19692315 0.91 TRPC1 (0.73) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL19692144 0.91 TRPC1 (0.73) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL21406871 0.91 TRPC1 (0.73) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL19706471 0.91 TRPC1 (0.84) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL19692293 0.90 TRPC1 (0.72) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL19692185 0.90 TRPC1 (0.82) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL19692277 0.90 TRPC1 (0.72) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL19692294 0.90 TRPC1 (0.82) 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 7 patents. 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 claimed
US-20190300509-A1 MODULATORS OF SOCE, COMPOSITIONS, AND USES THEREOF UNIVERSITA DEGLI STUDI DEL PIEMONTE ORIENTALE "AMEDEO AVOGADRO" (IT) 2019-10-03 — — 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
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

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-20190300509-A1 MODULATORS OF SOCE, COMPOSITIONS, AND USES THEREOF STIM1, ORAI1, SARAF TRPC1 11/4885TRPC3 12/4885STIM1 1/4885

“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.