Sugi Predict

Sugi Predict / Compounds / SCHEMBL593236

SCHEMBL593236

SCHEMBL593236

O=C(OCc1ccccc1)N1CCC(c2ncc3c(Cl)nccn23)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ GRIN2B Q13224 9/20 0.49
▸ CYP2C19 P33261 1/20 0.48
▸ CYP2D6 P10635 4/20 0.48
▸ CYP2C9 P11712 4/20 0.48
▸ CYP3A4 P08684 3/20 0.48
▸ OPRD1 P41143 1/20 0.46
▸ OPRK1 P41145 1/20 0.46
▸ JAK2 O60674 3/20 0.44
▸ JAK1 P23458 3/20 0.44
▸ TYK2 P29597 3/20 0.44
▸ JAK3 P52333 2/20 0.44
▸ FAAH O00519 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ ENPP2 Q13822 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
SCHEMBL28938318 0.94 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL21050978 0.94 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL2323403 0.91 GRIN2B (0.43) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL2323399 0.91 GRIN2B (0.43) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL2323323 0.90 OPRD1 (0.43) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL14654247 0.90 JAK2 (0.47) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL14647469 0.90 JAK2 (0.47) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL2322885 0.88 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL26361498 0.84 POLB (0.38) SMN1; SMN2NPC1RAB9AOPRD1OPRK1
SCHEMBL15878779 0.83 PREP (0.40) —

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 76 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
EP-2325186-B1 Fused Bicyclic mTor Inhibitors OSI PHARMACEUTICALS LLC (US) 2014-10-08 — — EP disclosed
US-8796455-B2 Fused bicyclic mTOR inhibitors OSI Pharmaceuticals, LLC (US) 2014-08-05 — — US disclosed
US-8796455-B2 Fused bicyclic mTOR inhibitors OSI Pharmaceuticals, LLC (US) 2014-08-05 — — US disclosed
US-8796455-B2 Fused bicyclic mTOR inhibitors OSI Pharmaceuticals, LLC (US) 2014-08-05 — — 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-8586546-B2 Combined treatment with an EGFR kinase inhibitor and an agent that sensitizes tumor cells to the effects of EGFR kinase inhibitors OSI Pharmaceuticals, LLC (US) 2013-11-19 — — US disclosed
US-8586546-B2 Combined treatment with an EGFR kinase inhibitor and an agent that sensitizes tumor cells to the effects of EGFR kinase inhibitors OSI Pharmaceuticals, LLC (US) 2013-11-19 — — US disclosed
EP-2385053-B1 Intermediates for the preparation of fused bicyclic mTOR inhibitors OSI PHARM INC (US) 2013-10-02 — — EP disclosed
EP-2385053-B1 Intermediates for the preparation of fused bicyclic mTOR inhibitors OSI PHARM INC (US) 2013-10-02 — — EP disclosed
US-20070280928-A1 Combined treatment with an EGFR kinase inhibitor and an agent that sensitizes tumor cells to the effects of EGFR kinase inhibitors OSI PHARMACEUTICALS, INC. 2007-12-06 — — US disclosed
US-20070280928-A1 Combined treatment with an EGFR kinase inhibitor and an agent that sensitizes tumor cells to the effects of EGFR kinase inhibitors OSI PHARMACEUTICALS, INC. 2007-12-06 — — US disclosed
US-20070254883-A1 Unsaturated mTOR inhibitors OSI PHARMACEUTICALS, INC. 2007-11-01 — — US disclosed
US-20070254883-A1 Unsaturated mTOR inhibitors OSI PHARMACEUTICALS, INC. 2007-11-01 — — US disclosed
US-20070254883-A1 Unsaturated mTOR inhibitors OSI PHARMACEUTICALS, INC. 2007-11-01 — — US disclosed
WO-2007087395-A2 UNSATURATED mTOR INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2007-08-02 — — WO disclosed
WO-2007087395-A2 UNSATURATED mTOR INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2007-08-02 — — WO disclosed
US-20070112005-A1 mammalian Target Of Rapamycin (mTOR) kinase; for treatment of lymphoma or ovarian cancer OSI PHARMACEUTICALS, INC. 2007-05-17 — — US disclosed
US-20070112005-A1 mammalian Target Of Rapamycin (mTOR) kinase; for treatment of lymphoma or ovarian cancer OSI PHARMACEUTICALS, INC. 2007-05-17 — — US disclosed
US-20070112005-A1 mammalian Target Of Rapamycin (mTOR) kinase; for treatment of lymphoma or ovarian cancer OSI PHARMACEUTICALS, INC. 2007-05-17 — — 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 (3 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-20070280928-A1 Combined treatment with an EGFR kinase inhibitor and an agent that sensitizes tumor cells to the effects of EGFR kinase inhibitors EGFR, ERBB2, RICTOR SMN1; SMN2 1806/4885NPC1 541/4885RAB9A 564/4885
US-20070112005-A1 mammalian Target Of Rapamycin (mTOR) kinase; for treatment of lymphoma or ovarian cancer MTOR, MAPKAP1, RPS6KA1 SMN1; SMN2 4488/4885NPC1 1810/4885RAB9A 1191/4885
US-20070254883-A1 Unsaturated mTOR inhibitors MTOR, RICTOR, MAPKAP1 SMN1; SMN2 1997/4885NPC1 191/4885RAB9A 1405/4885

“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.