SCHEMBL4125039

SCHEMBL4125039

O=C(N[C@@H]1CCS(=O)(=O)C1)c1cnn2c(-c3ccc(C(F)F)cc3)c(-c3ccccc3Cl)cnc12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 13/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.39
LMNA P02545 1/20 0.39
GSK3B P49841 1/20 0.37
KCNH2 Q12809 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TNF P01375 1/20 0.36
IRAK4 Q9NWZ3 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
SCHEMBL4106953 1.00 DGAT2 (0.42) DGAT2SMN1; SMN2KDM4EGLALMNA
SCHEMBL4106949 1.00 DGAT2 (0.42) DGAT2SMN1; SMN2KDM4EGLALMNA
SCHEMBL4130217 0.91 DGAT2 (0.47) DGAT2SMN1; SMN2KDM4EGLALMNA
SCHEMBL4114345 0.91 DGAT2 (0.47) DGAT2SMN1; SMN2KDM4EGLALMNA
SCHEMBL2085794 0.91 DGAT2 (0.47) DGAT2SMN1; SMN2KDM4EGLALMNA
SCHEMBL8984643 0.90 SMN1; SMN2 (0.46) DGAT2SMN1; SMN2KDM4EGLALMNA
SCHEMBL4120284 0.89 DGAT2 (0.43) DGAT2SMN1; SMN2KDM4EGLALMNA
SCHEMBL4120278 0.89 DGAT2 (0.43) DGAT2SMN1; SMN2KDM4EGLALMNA
SCHEMBL4120411 0.89 DGAT2 (0.43) DGAT2SMN1; SMN2KDM4EGLALMNA
SCHEMBL4115077 0.84 CNR1 (0.43) DGAT2SMN1; SMN2KDM4EALDH1A1MAPT

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-8188097-B2 Pyrazolo[1,5-A]pyrimidine compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-05-29 US claimed
US-20090069298-A1 Pyrazolo[1,5-A]Pyrimidine Compounds TANABE SEIYAKU CO., LTD. (JP) 2009-03-12 US claimed
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 DGAT2 4729/4885SMN1; SMN2 3307/4885KDM4E 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.