SCHEMBL3179997

SCHEMBL3179997

O=C(O)NCC1CCC(c2ncc3c(Cl)nccn23)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE1C Q14123 9/20 0.40
PDE1B Q01064 7/20 0.40
PDE1A P54750 6/20 0.40
TNK2 Q07912 4/20 0.38
PDPK1 O15530 1/20 0.37
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.37
RAF1 P04049 1/20 0.37
INSR P06213 1/20 0.37
IGF1R P08069 1/20 0.37
SRC P12931 1/20 0.37
KDR P35968 1/20 0.37
MAP2K1 Q02750 1/20 0.37
TTK P33981 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CYP2D6 P10635 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL3179988 1.00 PDE1C (0.40) PDE1CPDE1BPDE1ATNK2PDPK1
SCHEMBL14236746 0.87 PDE1C (0.41) PDE1CPDE1BPDE1ATNK2PDPK1
SCHEMBL14236744 0.87 PDE1C (0.41) PDE1CPDE1BPDE1ATNK2PDPK1
SCHEMBL1129460 0.84 TNK2 (0.57) TNK2IGF1RCYP2D6
SCHEMBL397982 0.82 PDE1C (0.43) PDE1CPDE1BPDE1ATNK2IGF1R
SCHEMBL397983 0.82 PDE1C (0.43) PDE1CPDE1BPDE1ATNK2IGF1R
SCHEMBL16748877 0.81 PDE1C (0.44) PDE1CPDE1BPDE1ATNK2
SCHEMBL25277153 0.81 PIK3CA (0.42) PDE1CPDE1BPDE1ATNK2IGF1R
SCHEMBL19264032 0.81 PIK3CA (0.42) PDE1CPDE1BPDE1ATNK2IGF1R
SCHEMBL17892665 0.79 PDE1C (0.33) PDE1CPDE1BPDE1ATNK2

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 14 patents. 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-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-20130165651-A1 FUSED BICYCLIC mTOR INHIBITORS OSI Pharmaceuticals, LLC 2013-06-27 US disclosed
EP-2534151-A1 8-METHYL-1-PHENYL-IMIDAZOL[1,5-A]PYRAZINE COMPOUNDS MSD Oss B.V. (NL) 2012-12-19 EP 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-20100099679-A1 FUSED BICYCLIC mTOR INHIBITORS OSI PHARMACEUTICALS, INC. 2010-04-22 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 PDE1C 3728/4885PDE1B 3419/4885PDE1A 3492/4885
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 PDE1C 3150/4885PDE1B 3219/4885PDE1A 3076/4885
US-20100099679-A1 FUSED BICYCLIC mTOR INHIBITORS MTOR, RICTOR, MAPKAP1 PDE1C 3728/4885PDE1B 3419/4885PDE1A 3492/4885
US-20130165651-A1 FUSED BICYCLIC mTOR INHIBITORS MTOR, RICTOR, MAPKAP1 PDE1C 3728/4885PDE1B 3419/4885PDE1A 3492/4885
US-20090274698-A1 Combination anti-cancer therapy MTOR, RICTOR, AKT1 PDE1C 2950/4885PDE1B 2872/4885PDE1A 2862/4885
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

“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.