SCHEMBL15034187

SCHEMBL15034187

COc1cc(C)cnc1CO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 5/20 0.45
▸ ACHE P22303 2/20 0.40
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ POLB P06746 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ ATM Q13315 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35

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
SCHEMBL11918255 0.84 ACHE (0.40) DPP4ACHEMAPK1L3MBTL1
SCHEMBL10555560 0.82 ACHE (0.43) DPP4ACHEPOLBNPC1RAB9A
SCHEMBL13936206 0.82 ACHE (0.43) DPP4ACHEPOLBADORA2AALDH1A1
SCHEMBL22557290 0.78 DPP4 (0.47) DPP4PDE4APDE4BPDE4CPDE4D
SCHEMBL1578005 0.78 DPP4 (0.44) DPP4PDE4APDE4BPDE4CPDE4D
SCHEMBL1758493 0.77 NOS3 (0.46) DPP4ACHEATMADORA2AALDH1A1
SCHEMBL19343283 0.76 DPP4 (0.42) DPP4PDE4APDE4BPDE4CPDE4D
SCHEMBL18814147 0.75 ACHE (0.43) ACHENPC1RAB9AALDH1A1MAPT
SCHEMBL15054566 0.75 ALDH1A1 (0.42) DPP4ACHEPOLBNPC1RAB9A
SCHEMBL10084727 0.74 ACHE (0.46) ACHEPOLBALDH1A1MEN1USP2

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
EP-3808739-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE Vertex Pharmaceuticals Incorporated (US) 2021-04-21 — — EP disclosed
EP-3309152-B1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMA (US) 2020-09-09 — — EP disclosed
EP-3309152-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE Vertex Pharmaceuticals Incorporated (US) 2018-04-18 — — EP disclosed
WO-2018019793-A1 N-(2-(4-((1R,3R)-3-METHYL-2,3,4,9-TETRAHYDRO-1H-PYRIDO[3,4-B]INDOL-1-YL)PHENOXY)ETHYL)PROPAN-1-AMINE DERIVATIVES AND RELATED COMPOUNDS AS SELECTIVE DOWN-REGULATORS OF THE ESTROGEN RECEPTOR FOR TREATING CANCER ASTRAZENECA AB (SE) 2018-02-01 — — WO disclosed
EP-2516417-B1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMA (US) 2017-10-11 — — EP disclosed
US-20170260175-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED 2017-09-14 — — US disclosed
US-9676759-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-06-13 — — US disclosed
US-20140038936-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED 2014-02-06 — — US disclosed
US-8466288-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-18 — — US 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 (2 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-20140038936-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 DPP4 2584/4885ACHE 4231/4885PDE4A 751/4885
US-20170260175-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 DPP4 2584/4885ACHE 4231/4885PDE4A 751/4885

“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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