SCHEMBL2084053

SCHEMBL2084053

NS(=O)(=O)c1nn2c(-c3ccc(Cl)cc3)c(-c3ccccc3Br)cnc2c1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
CA12 O43570 2/20 0.37
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
RXFP1 Q9HBX9 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
PTGS1 P23219 3/20 0.35
CA4 P22748 1/20 0.35
AURKA O14965 3/20 0.34
AHR P35869 1/20 0.34
KDR P35968 1/20 0.34
F10 P00742 1/20 0.34

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
SCHEMBL2084105 0.91 PTGS2 (0.38) PTGS2CA1CA2CA9CA12
SCHEMBL2083735 0.84 CNR1 (0.39)
SCHEMBL2086350 0.83 PTGS2 (0.39) PTGS2CA1CA2CA9NPC1
SCHEMBL2087112 0.81 GPR119 (0.36) PTGS2MAPTALDH1A1PTGS1
SCHEMBL2055579 0.81 F10 (0.36) PTGS2CA1CA2CA9NPC1
SCHEMBL2086382 0.79 RAB9A (0.35) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL2087114 0.79 MALT1 (0.36) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL2086764 0.78 RAB9A (0.49) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL2084191 0.78 CA1 (0.44) CA1CA2CA9CA12NPC1
SCHEMBL4124278 0.77 MAP4K4 (0.46) NPC1RAB9AMAPTSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921380-B2 Pyrazolo[1,5-a] pyrimidine compounds as CB1 receptor antagonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-12-30 US disclosed
EP-2520577-B1 Pyrazolo[1,5-a]pyrimidine compounds as cb1 receptor antagonists MITSUBISHI TANABE PHARMA CORP (JP) 2013-12-11 EP disclosed
EP-2520577-A1 Pyrazolo[1,5-a]pyrimidine compounds as CB1 receptor antagonists Mitsubishi Tanabe Pharma Corporation (JP) 2012-11-07 EP disclosed
US-20120202992-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST TANIMOTO KOICHI (JP) 2012-08-09 US disclosed
US-8163759-B2 Pyrazolo[1,5-A] pyrimidine compounds as CB1 receptor antagonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-04-24 US disclosed
US-20090258867-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-15 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 (2 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-20120202992-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST CNR1, CNR2, CCKAR PTGS2 2174/4885CA1 1348/4885CA2 815/4885
US-20090258867-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST CNR1, CNR2, CCKAR PTGS2 2139/4885CA1 1086/4885CA2 760/4885

“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.