SCHEMBL8979102

SCHEMBL8979102

CNN(C)c1cc(C(F)(F)F)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.46
NOS2 P35228 1/20 0.46
ADRB2 P07550 1/20 0.39
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
GAA P10253 1/20 0.37
ADRB1 P08588 1/20 0.36
POLQ O75417 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
IDH2 P48735 2/20 0.34
SYK P43405 2/20 0.34
AURKA O14965 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAK O14976 1/20 0.33
RIPK2 O43353 1/20 0.33
STK16 O75716 1/20 0.33
EGFR P00533 1/20 0.33
AAK1 Q2M2I8 1/20 0.33

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
SCHEMBL1344896 0.82 NOS3 (0.52) NOS3NOS2ADRB2MAPK1ALDH1A1
SCHEMBL3216629 0.79 NOS3 (0.53) NOS3NOS2ADRB2MAPK1ALDH1A1
SCHEMBL30695508 0.76 NOS3 (0.46) NOS3NOS2ADRB2MAPK1ALDH1A1
SCHEMBL14547839 0.75 NOS3 (0.44) NOS3NOS2ADRB2MAPK1ALDH1A1
SCHEMBL27799117 0.74 NOS3 (0.47) NOS3NOS2ADRB2MAPK1ALDH1A1
SCHEMBL8979076 0.74 L3MBTL1 (0.48) ALDH1A1L3MBTL1GAAKMT2ANPSR1
SCHEMBL13570887 0.73 POLQ (0.45) NOS3NOS2ALDH1A1L3MBTL1GAA
SCHEMBL9031649 0.72 LOXL2 (0.32) NOS3NOS2
SCHEMBL23839470 0.71 AR (0.48) NOS3NOS2ADRB2MAPK1ALDH1A1
SCHEMBL14768765 0.71 NOS3 (0.52) NOS3NOS2ADRB2MAPK1ALDH1A1

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 NOS3 2346/4885NOS2 3231/4885ADRB2 689/4885

“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.