SCHEMBL4112757

SCHEMBL4112757

CN(N)c1ccc(Br)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 6/20 0.57
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
ADRA2A P08913 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
PLAU P00749 1/20 0.38
KDM4E B2RXH2 3/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.31
SSTR2 P30874 1/20 0.31
SSTR4 P31391 1/20 0.31
RAD52 P43351 1/20 0.31
EGFR P00533 1/20 0.31

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
SCHEMBL304232 0.82 GBA1 (0.61) GBA1ALDH1A1NPC1SMN1; SMN2KMT2A
SCHEMBL15828789 0.77 GBA1 (0.51) GBA1ALDH1A1NPC1SMN1; SMN2KMT2A
SCHEMBL5237488 0.77 GBA1 (0.60) GBA1ALDH1A1NPC1SMN1; SMN2KMT2A
SCHEMBL1433090 0.75 GBA1 (0.69) GBA1ALDH1A1NPC1SMN1; SMN2KMT2A
SCHEMBL8978726 0.75 GBA1 (0.53) GBA1ALDH1A1NPC1SMN1; SMN2KMT2A
SCHEMBL31217405 0.75 GBA1 (0.53) GBA1ALDH1A1NPC1SMN1; SMN2KMT2A
SCHEMBL16230817 0.74 GBA1 (0.57) GBA1ALDH1A1NPC1SMN1; SMN2KMT2A
SCHEMBL14547837 0.74 TDO2 (0.36) GBA1KMT2AJAK2JAK1MBOAT4
SCHEMBL15828794 0.74 GBA1 (0.56) GBA1ALDH1A1NPC1SMN1; SMN2KMT2A
SCHEMBL3613650 0.74 GBA1 (0.47) GBA1ALDH1A1NPC1SMN1; SMN2KMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101296699-B Pyrazolo [1,5-a ] pyrimidine compounds MITSUBISHI TANABE PHARMA CORP 2013-01-02 CN disclosed
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-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
US-20090069298-A1 Pyrazolo[1,5-A]Pyrimidine Compounds TANABE SEIYAKU CO., LTD. (JP) 2009-03-12 US disclosed
CN-101296699-A Pyrazolo [1, 5-a ] pyrimidine compounds MITSUBISHI TANABE PHARMA CORP (JP) 2008-10-29 CN 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 GBA1 3323/4885ALDH1A1 467/4885NPC1 3153/4885

“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.