SCHEMBL8979328

SCHEMBL8979328

CNN1CCc2c(Cl)cccc21

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.53
ADRA2A P08913 2/20 0.47
ADRA2B P18089 2/20 0.47
ADRA2C P18825 2/20 0.47
CYP2D6 P10635 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
HTR2C P28335 2/20 0.40
HTR2A P28223 1/20 0.40
DRD2 P14416 4/20 0.39
DRD3 P35462 3/20 0.39
DRD4 P21917 1/20 0.37
ADRB1 P08588 2/20 0.35
AADAT Q8N5Z0 1/20 0.34
ACACB O00763 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL11405929 0.80 NOTUM (0.51) NOTUMHTR2CDRD2DRD4ADRB1
SCHEMBL23432854 0.76 HTR2C (0.40) NOTUMHTR2CHTR2ADRD2DRD3
SCHEMBL23432686 0.76 GAA (0.41) NPSR1DRD2DRD3
SCHEMBL11643437 0.76 NOTUM (0.47) NOTUMADRA2AADRA2BADRA2CCYP2D6
SCHEMBL2625772 0.76 NOTUM (0.57) NOTUMADRA2AADRA2BADRA2CCYP2D6
SCHEMBL12905287 0.73 NOTUM (0.54) NOTUMADRA2AADRA2BADRA2CCYP2D6
SCHEMBL8979357 0.71 NOTUM (0.53) NOTUMADRA2AADRA2BADRA2CCYP2D6
SCHEMBL13209713 0.71 NOTUM (0.53) NOTUMADRA2AADRA2BADRA2CCYP2D6
SCHEMBL13228227 0.71 NOTUM (0.53) NOTUMADRA2AADRA2BADRA2CCYP2D6
SCHEMBL2632953 0.71 NOTUM (0.53) NOTUMADRA2AADRA2BADRA2CCYP2D6

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 5 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-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
US-20090069298-A1 Pyrazolo[1,5-A]Pyrimidine Compounds TANABE SEIYAKU CO., LTD. (JP) 2009-03-12 US 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 NOTUM 4389/4885ADRA2A 1062/4885ADRA2B 819/4885

“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.