Sugi Predict

Sugi Predict / Compounds / SCHEMBL1723015

SCHEMBL1723015

SCHEMBL1723015

O=C(Cl)N1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.66
▸ KMT2A Q03164 1/20 0.66
▸ NPSR1 Q6W5P4 1/20 0.66
▸ SMN1; SMN2 Q16637 3/20 0.64
▸ NPC1 O15118 3/20 0.64
▸ RAB9A P51151 3/20 0.64
▸ CYP2C19 P33261 2/20 0.61
▸ ALDH1A1 P00352 1/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ GRIN2B Q13224 3/20 0.51
▸ HTT P42858 1/20 0.51
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ OPRD1 P41143 1/20 0.49
▸ OPRK1 P41145 1/20 0.49
▸ KDM1A O60341 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ DPP4 P27487 1/20 0.48

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
SCHEMBL4814264 0.92 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL379160 0.92 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL7393652 0.92 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL3970912 0.92 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
Bicarbonate SCHEMBL4357688 0.90 MEN1 (0.73) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL15011579 0.90 MEN1 (0.73) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL27630267 0.87 MEN1 (0.66) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL16611411 0.87 MEN1 (0.69) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL3795583 0.87 MEN1 (0.69) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL7658562 0.85 L3MBTL1 (0.68) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2534151-B1 8-METHYL-1-PHENYL-IMIDAZOL[1,5-A]PYRAZINE COMPOUNDS MERCK SHARP & DOHME (NL) 2018-11-14 — — EP disclosed
US-20150197496-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-07-16 — — US disclosed
EP-2404907-B1 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC (US) 2015-01-14 — — EP disclosed
EP-2173723-B3 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2014-11-19 — — EP disclosed
US-20140315887-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. 2014-10-23 — — US disclosed
US-8846683-B2 Pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-09-30 — — US disclosed
US-8658794-B2 8-methyl-1-phenyl-imidazol[1,5-a]pyrazine compounds as Lck inhibitors and uses thereof MERCK SHARP & DOHME B.V. (NL) 2014-02-25 — — US disclosed
US-20130143865-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. (US) 2013-06-06 — — US disclosed
CN-101918373-B Pyrimidyl cyclopentanes as akt protein kinase inhibitors ARRAY BIOPHARMA INC 2013-06-05 — — CN disclosed
US-8377937-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2013-02-19 — — US disclosed
US-20120309966-A1 8-METHYL-1-PHENYL-IMIDAZOL[1,5-A]PYRAZINE COMPOUNDS N.V. ORGANON (NL) 2012-12-06 — — US disclosed
EP-2404907-A1 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors Array Biopharma, Inc. (US) 2012-01-11 — — EP disclosed
EP-2173723-B1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2011-08-31 — — EP disclosed
WO-2011095556-A1 8-METHYL-1-PHENYL-IMIDAZOL[1,5-A]PYRAZINE COMPOUNDS N.V. ORGANON (NL) 2011-08-11 — — WO disclosed
US-20110160221-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. 2011-06-30 — — US disclosed
CN-101918373-A Pyrimidyl cyclopentane as the AKT kinases inhibitor ARRAY BIOPHARMA INC 2010-12-15 — — CN disclosed
EP-2173723-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2010-04-14 — — EP disclosed
WO-2009006569-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-01-08 — — WO disclosed
US-6025385-A HIGH SOLUBILITY IN WATER AND ALSO HAS EXCELLENT ANTITUMOR ACTIVITIES. KABUSHIKI KAISHA YAKULT HONSHA (JP) 2000-02-15 — — US disclosed
EP-0930309-A1 TAXANE DERIVATIVES AND DRUGS CONTAINING THE SAME KABUSHIKI KAISHA YAKULT HONSHA (JP) 1999-07-21 — — 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 (5 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-20150197496-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 MEN1 2182/4885KMT2A 2785/4885NPSR1 4169/4885
US-20140315887-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 MEN1 2182/4885KMT2A 2785/4885NPSR1 4169/4885
US-20120309966-A1 8-METHYL-1-PHENYL-IMIDAZOL[1,5-A]PYRAZINE COMPOUNDS LCK, ZAP70, FYN MEN1 4691/4885KMT2A 344/4885NPSR1 3027/4885
US-20130143865-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 MEN1 2182/4885KMT2A 2785/4885NPSR1 4169/4885
US-20110160221-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 MEN1 2182/4885KMT2A 2785/4885NPSR1 4169/4885

“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.