SCHEMBL594279

SCHEMBL594279

O=C1CC(c2ncc3c(Cl)nccn23)C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE1C Q14123 9/20 0.38
PDE1B Q01064 6/20 0.37
PDE1A P54750 5/20 0.37
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIA1 P42261 1/20 0.30
GRIA2 P42262 1/20 0.30
GRIA3 P42263 1/20 0.30
GRIA4 P48058 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30

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
SCHEMBL25378663 0.86 PDE1C (0.39) PDE1CPDE1BPDE1A
SCHEMBL23217412 0.85 PDE1C (0.42) PDE1CPDE1BPDE1A
SCHEMBL12006092 0.85 PDE1C (0.32) PDE1CPDE1BPDE1A
SCHEMBL401226 0.85 PDE1C (0.33) PDE1CPDE1BPDE1A
SCHEMBL400651 0.83 PDE1C (0.43) PDE1CPDE1BPDE1A
SCHEMBL18099738 0.81 PDE1C (0.46) PDE1CPDE1BPDE1A
SCHEMBL2326369 0.80 PDE1C (0.36) PDE1CPDE1BPDE1A
SCHEMBL14536725 0.79 TNK2 (0.35) PDE1CPDE1BPDE1A
SCHEMBL21091174 0.79 PDE1C (0.33) PDE1CPDE1BPDE1A
SCHEMBL19264176 0.79 PDE1C (0.33) PDE1CPDE1BPDE1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9822120-B2 Protein kinase inhibitors PHARMASCIENCE INC. (CA) 2017-11-21 US disclosed
US-9822120-B2 Protein kinase inhibitors PHARMASCIENCE INC. (CA) 2017-11-21 US disclosed
US-20160280711-A1 Protein Kinase Inhibitors PHARMASCIENCE INC. (CA) 2016-09-29 US disclosed
US-20160280711-A1 Protein Kinase Inhibitors PHARMASCIENCE INC. (CA) 2016-09-29 US disclosed
WO-2015074138-A1 PROTEIN KINASE INHIBITORS PHARMASCIENCE INC. (CA) 2015-05-28 WO 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-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-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
WO-2007067709-A1 PROCESS TO PREPARE SUBSTITUTED IMIDAZOPYRAZINE COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2007-06-14 WO disclosed
WO-2007067709-A1 PROCESS TO PREPARE SUBSTITUTED IMIDAZOPYRAZINE COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2007-06-14 WO disclosed
US-20070129547-A1 Process to prepare substituted imidazopyrazine compounds OSI PHARMACEUTICALS, INC. 2007-06-07 US disclosed
US-20070129547-A1 Process to prepare substituted imidazopyrazine compounds OSI PHARMACEUTICALS, INC. 2007-06-07 US disclosed
US-20070129547-A1 Process to prepare substituted imidazopyrazine compounds OSI PHARMACEUTICALS, INC. 2007-06-07 US disclosed
WO-2007061737-A2 FUSED BICYCLIC mTOR INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2007-05-31 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 (4 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-20070129547-A1 Process to prepare substituted imidazopyrazine compounds ZYX, BRPF3, NBAS PDE1C 4008/4885PDE1B 4213/4885PDE1A 4534/4885
US-20160280711-A1 Protein Kinase Inhibitors TEC, LCK, SRC PDE1C 1830/4885PDE1B 1977/4885PDE1A 1718/4885
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 PDE1C 2818/4885PDE1B 2739/4885PDE1A 2808/4885
US-20070112005-A1 mammalian Target Of Rapamycin (mTOR) kinase; for treatment of lymphoma or ovarian cancer MTOR, MAPKAP1, RPS6KA1 PDE1C 4285/4885PDE1B 3807/4885PDE1A 4013/4885

“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.