SCHEMBL4112665

SCHEMBL4112665

CN(C)C=C(Br)C(=O)c1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.59
CYP11B2 P19099 4/20 0.59
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CES2 O00748 3/20 0.52
CES1 P23141 3/20 0.52
MAPT P10636 2/20 0.50
CYP1A2 P05177 1/20 0.50
HPGD P15428 1/20 0.50
ALOX12 P18054 1/20 0.50
CYP2C19 P33261 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
GSK3B P49841 1/20 0.40

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
SCHEMBL4112664 1.00 CYP11B1 (0.59) CYP11B1CYP11B2SMN1; SMN2ALDH1A1MEN1
SCHEMBL9404708 0.84 CYP11B1 (0.61) CYP11B1CYP11B2SMN1; SMN2ALDH1A1MEN1
SCHEMBL9404707 0.84 CYP11B1 (0.61) CYP11B1CYP11B2SMN1; SMN2ALDH1A1MEN1
SCHEMBL19835872 0.80 CYP11B1 (0.61) CYP11B1CYP11B2SMN1; SMN2ALDH1A1MEN1
SCHEMBL21049318 0.80 CYP11B1 (0.61) CYP11B1CYP11B2SMN1; SMN2ALDH1A1MEN1
Bromide SCHEMBL10366056 0.80 RAB9A (0.47) SMN1; SMN2ALDH1A1MEN1KMT2ACES2
Bromide SCHEMBL10366057 0.80 RAB9A (0.47) SMN1; SMN2ALDH1A1MEN1KMT2ACES2
SCHEMBL9475635 0.77 CYP11B1 (0.58) CYP11B1CYP11B2SMN1; SMN2ALDH1A1MEN1
SCHEMBL2251853 0.75 RAB9A (0.56) CYP11B1CYP11B2SMN1; SMN2ALDH1A1MEN1
SCHEMBL5358613 0.75 MEN1 (0.59) CYP11B1CYP11B2SMN1; SMN2ALDH1A1MEN1

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 1474/4885CYP11B2 1735/4885SMN1; SMN2 3307/4885

“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.