SCHEMBL4119585

SCHEMBL4119585

CN(C)C=C(C(=O)c1ccc(Cl)s1)c1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.48
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
CYP11B2 P19099 5/20 0.44
POLB P06746 1/20 0.39
F2 P00734 1/20 0.39
DAO P14920 1/20 0.39
MAPK1 P28482 1/20 0.38
GLA P06280 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ATM Q13315 1/20 0.37
HPGD P15428 1/20 0.36
GSK3B P49841 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
SCHEMBL4119580 1.00 CYP11B1 (0.48) CYP11B1ALDH1A1KDM4EGAACES2
SCHEMBL2085765 0.79 CYP11B1 (0.61) CYP11B1ALDH1A1CES2CES1CYP11B2
SCHEMBL2085764 0.79 CYP11B1 (0.61) CYP11B1ALDH1A1CES2CES1CYP11B2
SCHEMBL21585745 0.76 CYP11B1 (0.54) CYP11B1ALDH1A1CES2CES1CYP11B2
SCHEMBL21585737 0.76 CYP11B1 (0.54) CYP11B1ALDH1A1CES2CES1CYP11B2
SCHEMBL2044450 0.76 ALDH1A1 (0.47) ALDH1A1KDM4EGAAF2DAO
SCHEMBL2051564 0.76 ALDH1A1 (0.47) ALDH1A1KDM4EGAAF2DAO
SCHEMBL2086221 0.74 CYP11B1 (0.67) CYP11B1CES2CES1CYP11B2
SCHEMBL2086220 0.74 CYP11B1 (0.67) CYP11B1CES2CES1CYP11B2
SCHEMBL25796691 0.73 CYP11B1 (0.57) CYP11B1ALDH1A1CES2CES1CYP11B2

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 4 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 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 CYP11B1 1474/4885ALDH1A1 467/4885KDM4E 2108/4885

“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.