SCHEMBL2086791

SCHEMBL2086791

CCOC(=O)c1cnn2c(N3CCC(C)CC3)c(-c3ccccc3Cl)cnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.46
RAB9A P51151 6/20 0.46
NPC1 O15118 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.44
MAPT P10636 3/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
DYRK1A Q13627 1/20 0.44
ALDH1A1 P00352 7/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 3/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
TP53 P04637 1/20 0.43
STAT1 P42224 1/20 0.43
ADORA1 P30542 2/20 0.41
KDR P35968 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
SCHEMBL4121602 0.93 KDM4E (0.46) KDM4ERAB9ANPC1SMN1; SMN2MAPT
SCHEMBL4120972 0.91 KDM4E (0.44) KDM4ERAB9ANPC1SMN1; SMN2MAPT
SCHEMBL4129151 0.91 KDM4E (0.49) KDM4ERAB9ANPC1SMN1; SMN2MAPT
SCHEMBL2085113 0.87 KMT2A (0.45) KDM4ERAB9ANPC1SMN1; SMN2MAPT
SCHEMBL2084473 0.83 KDM4E (0.56) KDM4ERAB9ANPC1SMN1; SMN2MAPT
SCHEMBL4120324 0.82 GPR119 (0.39) KDM4ERAB9ANPC1SMN1; SMN2MAPT
SCHEMBL2086167 0.77 ALDH1A1 (0.37) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL2083730 0.77 NPC1 (0.58) KDM4ERAB9ANPC1SMN1; SMN2MAPT
SCHEMBL4108806 0.76 ALDH1A1 (0.52) KDM4ERAB9ANPC1SMN1; SMN2MAPT
SCHEMBL4118541 0.74 NPC1 (0.47) KDM4ERAB9ANPC1SMN1; SMN2MAPT

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 7 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-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 1550/4885RAB9A 424/4885NPC1 3764/4885
US-20090258867-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST CNR1, CNR2, CCKAR KDM4E 1486/4885RAB9A 426/4885NPC1 3892/4885

“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.