SCHEMBL594302

SCHEMBL594302

O=C(OCc1ccccc1)N1CCC(C2=C3C=NC=C[N+]3(Cl)C(I)=N2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CYP2C19 P33261 1/20 0.45
GRIN2B Q13224 9/20 0.44
CYP2D6 P10635 4/20 0.43
CYP2C9 P11712 4/20 0.43
JAK2 O60674 3/20 0.41
JAK1 P23458 3/20 0.41
TYK2 P29597 3/20 0.41
JAK3 P52333 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTT P42858 1/20 0.40
CYP3A4 P08684 3/20 0.40
USP30 Q70CQ3 1/20 0.39
TRPC3 Q13507 1/20 0.38
TRPC7 Q9HCX4 1/20 0.38

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
SCHEMBL593895 0.87 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL593237 0.81 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL399781 0.80 TRPC3 (0.40) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL2322567 0.80 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL14630463 0.80 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL2322889 0.79 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL15878608 0.74 PREP (0.38)
SCHEMBL3599756 0.74 GRIN2B (0.44) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL2323407 0.74 SIGMAR1 (0.42) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL594424 0.74 GRIN2B (0.44) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-8481733-B2 Substituted imidazopyr- and imidazotri-azines OSI Pharmaceuticals, LLC (US) 2013-07-09 US disclosed
US-20130165651-A1 FUSED BICYCLIC mTOR INHIBITORS OSI Pharmaceuticals, LLC 2013-06-27 US disclosed
EP-2283020-B1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI PHARM INC (US) 2012-10-31 EP disclosed
US-20120207767-A1 Combined Treatment with an EGFR Kinase Inhibitor and an Agent that Sensitizes Tumor Cells to the Effects of EGFR Kinase Inhibitors OSI PHARMACEUTICALS, LLC. 2012-08-16 US disclosed
US-8114846-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) 2012-02-14 US disclosed
EP-2385053-A2 Intermediates for the preparation of fused bicyclic mTOR inhibitors OSI Pharmaceuticals, Inc. (US) 2011-11-09 EP disclosed
US-7700594-B2 mammalian Target Of Rapamycin (mTOR) kinase; for treatment of lymphoma or ovarian cancer OSI PHARMACEUTICALS, INC. (US) 2010-04-20 US disclosed
US-7659274-B2 3-cyclobutyl-1-[(4-phenoxyphenyl)ethynyl]imidazo[1,5-a]pyrazin-8-amine, N-{3-[(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)ethynyl]phenyl}-4-chlorobenzamide; inhibitors of mammalian Target Of Rapamycin (mTOR) kinase; cancer OSI PHARMACEUTICALS, INC. (US) 2010-02-09 US disclosed
US-7651687-B2 Combined treatment with an EGFR kinase inhibitor and an agent that sensitizes tumor cells to the effects of EGFR kinase inhibitors OSI PHARMACEUTICALS, INC. (US) 2010-01-26 US disclosed
WO-2009143051-A1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI PHARMACEUTICALS, INC. (US) 2009-11-26 WO disclosed
US-20090286768-A1 SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES OSI PHARMACEUTICALS, INC. (US) 2009-11-19 US disclosed
US-20090274698-A1 Combination anti-cancer therapy OSI PHARMACEUTICALS, INC. 2009-11-05 US disclosed
US-20090163468-A1 Fused Bicyclic mTor Inhibitors OSI PHARMACEUTICALS, INC. 2009-06-25 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-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 (8 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-20090163468-A1 Fused Bicyclic mTor Inhibitors MTOR, RICTOR, MAPKAP1 SMN1; SMN2 2973/4885NPC1 431/4885RAB9A 223/4885
US-20120207767-A1 Combined Treatment with an EGFR Kinase Inhibitor and an Agent that Sensitizes Tumor Cells to the Effects of EGFR Kinase Inhibitors EGFR, ERBB2, MTOR SMN1; SMN2 4662/4885NPC1 1248/4885RAB9A 542/4885
US-20130165651-A1 FUSED BICYCLIC mTOR INHIBITORS MTOR, RICTOR, MAPKAP1 SMN1; SMN2 2973/4885NPC1 431/4885RAB9A 223/4885
US-20090274698-A1 Combination anti-cancer therapy MTOR, RICTOR, AKT1 SMN1; SMN2 3459/4885NPC1 2808/4885RAB9A 720/4885
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-20090286768-A1 SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES ABL1, TPMT, CYP2C19 SMN1; SMN2 267/4885NPC1 294/4885RAB9A 687/4885
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.