SCHEMBL4125311

SCHEMBL4125311

O=C(NC1CCCC1)c1cnn2c(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)cnc12

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 15/20 0.49
CNR2 P34972 2/20 0.48
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
MCHR1 Q99705 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43

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
SCHEMBL4124305 0.99 CNR1 (0.50) CNR1CNR2MEN1NPC1RAB9A
SCHEMBL4112274 0.96 CNR1 (0.52) CNR1CNR2MEN1KMT2AMCHR1
SCHEMBL4120337 0.93 CNR1 (0.48) CNR1CNR2MEN1NPC1RAB9A
SCHEMBL4109724 0.92 CNR1 (0.46) CNR1CNR2MEN1KMT2AMCHR1
SCHEMBL4106994 0.92 CNR1 (0.46) CNR1CNR2PDE4APDE4BPDE4C
SCHEMBL4115998 0.91 CNR1 (0.49) CNR1CNR2MEN1KMT2AMCHR1
SCHEMBL4115834 0.90 HCRTR1 (0.45) CNR1MEN1NPC1RAB9AKMT2A
SCHEMBL4125606 0.90 CNR1 (0.43) CNR1CNR2MEN1NPC1RAB9A
SCHEMBL4115077 0.89 CNR1 (0.43) CNR1CNR2NPC1RAB9APDE4A
SCHEMBL4118487 0.89 PDE4B (0.46) CNR1CNR2MEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188097-B2 Pyrazolo[1,5-A]pyrimidine compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-05-29 US claimed
US-20090069298-A1 Pyrazolo[1,5-A]Pyrimidine Compounds TANABE SEIYAKU CO., LTD. (JP) 2009-03-12 US claimed
EP-1945220-A1 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS CANNABINOID RECEPTOR ANTAGONISTS Mitsubishi Tanabe Pharma Corporation (JP) 2008-07-23 EP claimed
WO-2007046548-A1 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS CANNABINOID RECEPTOR ANTAGONISTS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-04-26 WO claimed
US-8188097-B2 Pyrazolo[1,5-A]pyrimidine compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-05-29 US disclosed
US-20090069298-A1 Pyrazolo[1,5-A]Pyrimidine Compounds TANABE SEIYAKU CO., LTD. (JP) 2009-03-12 US disclosed
EP-1945220-A1 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS CANNABINOID RECEPTOR ANTAGONISTS Mitsubishi Tanabe Pharma Corporation (JP) 2008-07-23 EP disclosed
WO-2007046548-A1 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS CANNABINOID RECEPTOR ANTAGONISTS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-04-26 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 (1 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-20090069298-A1 Pyrazolo[1,5-A]Pyrimidine Compounds RECQL, QTRT1, DPYD CNR1 285/4885CNR2 1046/4885MEN1 1656/4885

“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.