SCHEMBL1758362

SCHEMBL1758362

COc1ccc(COc2cccc3c2C(=O)CC3)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 8/20 0.51
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ABCB1 P08183 3/20 0.46
HTR1A P08908 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
MAOB P27338 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PTGER1 P34995 1/20 0.43
HTR2A P28223 1/20 0.41
HTR2B P41595 1/20 0.41

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
SCHEMBL16844582 0.84 MAPT (0.49) ABCB1HTR1AMAOBTDP1
SCHEMBL266254 0.77 KDM4E (0.56) PTK2ABCB1
SCHEMBL6816442 0.77 MAOB (0.46) ABCB1HTR1AMAOB
SCHEMBL2046418 0.77 ABCB1 (0.49) PTK2ABCB1
SCHEMBL7280823 0.76 MAOA (0.53) MAOBTDP1
SCHEMBL6849962 0.75 ABCB1 (0.41) PTK2ABCB1
SCHEMBL4812829 0.75 MAOA (0.47) MAOB
SCHEMBL16018989 0.74 ABCB1 (0.68) NPC1RAB9AABCB1HTR1AADRA1D
SCHEMBL12634878 0.74 ABCB1 (0.49) PTK2ABCB1HTR1AHTR2AHTR2B
SCHEMBL12634774 0.73 ABCB1 (0.44) ABCB1MAOBTDP1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105493-A1 HETEROCYCLYL SUBSTITUTED ARYLINDENOPYRIMIDINES AND THEIR USE AS HIGHLY SELECTIVE ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 US disclosed
US-20110105494-A1 HETEROARYL SUBSTITUTED ARYLINDENOPYRIMIDINES AND THEIR USE AS HIGHLY SELECTIVE ADENOSINE A2A RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 US disclosed
US-20110105540-A1 2-AMINO-9-[4-(4-METHOXY-PHENOXY)-PIPERIDIN-1-YL]-4-PHENYL-INDENO[1,2-D]PYRIMIDIN-5-ONE AND ITS USE AS A HIGHLY SELECTIVE ADENOSINE A2a RECEPTOR ANTAGONIST JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 US disclosed
US-20110105494-A1 HETEROARYL SUBSTITUTED ARYLINDENOPYRIMIDINES AND THEIR USE AS HIGHLY SELECTIVE ADENOSINE A2A RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 US disclosed
US-20110105493-A1 HETEROCYCLYL SUBSTITUTED ARYLINDENOPYRIMIDINES AND THEIR USE AS HIGHLY SELECTIVE ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 US disclosed
US-20110105494-A1 HETEROARYL SUBSTITUTED ARYLINDENOPYRIMIDINES AND THEIR USE AS HIGHLY SELECTIVE ADENOSINE A2A RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 US disclosed
US-20110105540-A1 2-AMINO-9-[4-(4-METHOXY-PHENOXY)-PIPERIDIN-1-YL]-4-PHENYL-INDENO[1,2-D]PYRIMIDIN-5-ONE AND ITS USE AS A HIGHLY SELECTIVE ADENOSINE A2a RECEPTOR ANTAGONIST JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 US disclosed
US-20110105540-A1 2-AMINO-9-[4-(4-METHOXY-PHENOXY)-PIPERIDIN-1-YL]-4-PHENYL-INDENO[1,2-D]PYRIMIDIN-5-ONE AND ITS USE AS A HIGHLY SELECTIVE ADENOSINE A2a RECEPTOR ANTAGONIST JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 US disclosed
US-20110105493-A1 HETEROCYCLYL SUBSTITUTED ARYLINDENOPYRIMIDINES AND THEIR USE AS HIGHLY SELECTIVE ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 US disclosed
WO-2011053507-A1 2-AMINO-9-[4-(4-METHOXY-PHENOXY) - PIPERID IN -1-YL] -4-PHENYL-INDENO [1,2-D] PYRIMIDIN -5 -ONE AND ITS USE AS A HIGHLY SELECTIVE ADENOSINE A2A RECEPTOR ANTAGONIST JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 WO disclosed
WO-2011053511-A1 HETEROARYL SUBSTITUTED ARYLINDENOPYRIMIDINES AND THEIR USE AS HIGHLY SELECTIVE ADENOSINE A2A RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 WO disclosed
WO-2011053510-A1 HETEROCYCLYL SUBSTITUTED ARYLINDENOPY-RIMIDINES AND THEIR USE AS HIGHLY SELECTIVE ADENOSINE A2A RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 WO 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-20110105540-A1 2-AMINO-9-[4-(4-METHOXY-PHENOXY)-PIPERIDIN-1-YL]-4-PHENYL-INDENO[1,2-D]PYRIMIDIN-5-ONE AND ITS USE AS A HIGHLY SELECTIVE ADENOSINE A2a RECEPTOR ANTAGONIST ADORA2A, ADORA1, ADORA3 PTK2 2537/4885NPC1 2187/4885RAB9A 878/4885
US-20110105494-A1 HETEROARYL SUBSTITUTED ARYLINDENOPYRIMIDINES AND THEIR USE AS HIGHLY SELECTIVE ADENOSINE A2A RECEPTOR ANTAGONISTS ADORA2A, ADORA3, ADORA2B PTK2 3322/4885NPC1 3695/4885RAB9A 1941/4885
US-20110105493-A1 HETEROCYCLYL SUBSTITUTED ARYLINDENOPYRIMIDINES AND THEIR USE AS HIGHLY SELECTIVE ADENOSINE A2a RECEPTOR ANTAGONISTS ADORA2A, ADORA3, ADORA2B PTK2 3342/4885NPC1 4145/4885RAB9A 2097/4885

“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.