SCHEMBL2086513

SCHEMBL2086513

CN(C)c1ccc(-c2c(-c3ccccc3Cl)cnc3c(C(=O)O)cnn23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
EGLN1 Q9GZT9 1/20 0.39
KDR P35968 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
EPHB3 P54753 1/20 0.37
MAP4K4 O95819 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36

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
SCHEMBL2083955 0.88 RAB9A (0.51) KDM4EALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL4118541 0.87 NPC1 (0.47) KDM4EALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL4108655 0.83 RAB9A (0.37) KDM4EALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL4115655 0.83 GPR119 (0.43) KDM4EALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL4113927 0.83 KDM4E (0.39) KDM4EALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL4118485 0.82 RAB9A (0.40) KDM4EALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL4125397 0.81 RAB9A (0.37) KDM4EALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL4115065 0.81 RAB9A (0.52) KDM4EALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL2055523 0.81 SMN1; SMN2 (0.46) KDM4EALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL4114246 0.81 AKR1C2 (0.43) KDM4EALDH1A1MAPTSMN1; SMN2RAB9A

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 KDM4E 1550/4885ALDH1A1 2507/4885MAPT 4458/4885
US-20090258867-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST CNR1, CNR2, CCKAR KDM4E 1486/4885ALDH1A1 2256/4885MAPT 4396/4885

“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.