SCHEMBL2086786

SCHEMBL2086786

NC(=O)Nc1nn2c(-c3ccc(C(F)(F)F)cc3)c(-c3ccccc3Cl)cnc2c1C(=O)NC1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.40
CNR1 P21554 2/20 0.40
KMT2A Q03164 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
FPR2 P25090 1/20 0.38
ACKR3 P25106 1/20 0.38
CDK2AP1 O14519 1/20 0.38
CHEK1 O14757 1/20 0.38
S100A4 P26447 1/20 0.38
NR3C1 P04150 2/20 0.37

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
SCHEMBL2055587 0.88 NR3C1 (0.37) TRPV1NR3C1
SCHEMBL1754255 0.87 TRPV1 (0.40) TRPV1CNR1KMT2ANPC1RAB9A
SCHEMBL4129292 0.83 CNR1 (0.44) CNR1KMT2ANPC1RAB9AMEN1
SCHEMBL4115834 0.82 HCRTR1 (0.45) TRPV1CNR1KMT2ANPC1RAB9A
SCHEMBL2084824 0.82 GPR119 (0.42) KMT2AMEN1NR3C1
SCHEMBL2084563 0.81 CNR1 (0.46) CNR1KMT2ANPC1RAB9AMEN1
SCHEMBL2084394 0.81 DGAT2 (0.35) TRPV1FPR2S100A4NR3C1
SCHEMBL2085516 0.80 CNR1 (0.43) CNR1KMT2A
SCHEMBL4114823 0.78 DGAT2 (0.42)
SCHEMBL4120444 0.78 DGAT2 (0.42)

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-8921380-B2 Pyrazolo[1,5-a] pyrimidine compounds as CB1 receptor antagonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-12-30 US disclosed
EP-2520577-A1 Pyrazolo[1,5-a]pyrimidine compounds as CB1 receptor antagonists Mitsubishi Tanabe Pharma Corporation (JP) 2012-11-07 EP disclosed
US-20120202992-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST TANIMOTO KOICHI (JP) 2012-08-09 US disclosed
US-8163759-B2 Pyrazolo[1,5-A] pyrimidine compounds as CB1 receptor antagonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-04-24 US disclosed
US-20090258867-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-15 US 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 (2 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-20120202992-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST CNR1, CNR2, CCKAR TRPV1 29/4885CNR1 1/4885KMT2A 2533/4885
US-20090258867-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST CNR1, CNR2, CCKAR TRPV1 56/4885CNR1 1/4885KMT2A 2273/4885

“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.