SCHEMBL2085252

SCHEMBL2085252

CCOC(=O)c1c(N(S(C)(=O)=O)S(C)(=O)=O)nn2c(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)cnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 3/20 0.42
NPC1 O15118 2/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 5/20 0.41
HPGD P15428 5/20 0.41
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 3/20 0.39
MAPT P10636 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DGAT1 O75907 1/20 0.39
SOAT1 P35610 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL2085826 0.92 TP53 (0.42) TP53RXFP1RAB9ASMN1; SMN2LMNA
SCHEMBL4120345 0.91 GPR119 (0.41) RAB9ASMN1; SMN2KDM4EHPGDALDH1A1
SCHEMBL4114405 0.87 TP53 (0.44) TP53RXFP1RAB9ASMN1; SMN2LMNA
SCHEMBL4109766 0.86 KDM4E (0.50) TP53RXFP1RAB9ASMN1; SMN2LMNA
SCHEMBL2083306 0.85 TP53 (0.44) TP53RXFP1RAB9ASMN1; SMN2LMNA
SCHEMBL2086776 0.85 ALDH1A1 (0.49) TP53RXFP1RAB9ASMN1; SMN2LMNA
SCHEMBL2085373 0.85 TP53 (0.43) TP53RXFP1RAB9ASMN1; SMN2LMNA
SCHEMBL2086689 0.85 TP53 (0.43) TP53RXFP1RAB9ASMN1; SMN2LMNA
SCHEMBL2084191 0.84 CA1 (0.44) TP53RXFP1RAB9ASMN1; SMN2LMNA
SCHEMBL4129331 0.84 GPR119 (0.41) RAB9AKDM4EHPGDALDH1A1NPSR1

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-2035427-B1 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST 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 TP53 3212/4885RXFP1 115/4885RAB9A 424/4885
US-20090258867-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST CNR1, CNR2, CCKAR TP53 3655/4885RXFP1 109/4885RAB9A 426/4885

“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.