SCHEMBL2086709

SCHEMBL2086709

Cc1nn2c(-c3ccccc3)c(-c3ccccc3Cl)cnc2c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NTRK1 P04629 1/20 0.43
PIM1 P11309 1/20 0.43
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
DHODH Q02127 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
MAP4K4 O95819 1/20 0.37
MAPT P10636 1/20 0.37
POLB P06746 1/20 0.37
NR3C1 P04150 1/20 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
SCHEMBL4118550 0.85 KMT2A (0.38) CYP1A2CYP2C9CYP2C19NTRK1PIM1
SCHEMBL11923820 0.83 KMT2A (0.40) CYP1A2CYP2C9CYP2C19KMT2AMEN1
SCHEMBL4709032 0.82 CYP1A2 (0.46) CYP1A2CYP2C9CYP2C19NTRK1PIM1
SCHEMBL4124557 0.82 RAB9A (0.41) CYP2C9NTRK1PIM1KMT2AMEN1
SCHEMBL4124278 0.82 MAP4K4 (0.46) CYP1A2CYP2C9CYP2C19NTRK1PIM1
SCHEMBL4109766 0.81 KDM4E (0.50) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL2084056 0.81 RAB9A (0.38) CYP2C9NTRK1PIM1KMT2AMEN1
SCHEMBL1754318 0.80 KMT2A (0.40) NTRK1PIM1KMT2AMEN1NPC1
SCHEMBL4124245 0.79 NPC1 (0.43) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL1753988 0.79 CNR1 (0.48) NTRK1PIM1KMT2AMEN1NPC1

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-8921380-B2 Pyrazolo[1,5-a] pyrimidine compounds as CB1 receptor antagonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-12-30 US disclosed
EP-2035427-B1 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST MITSUBISHI TANABE PHARMA CORP (JP) 2013-12-11 EP 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 CYP1A2 2063/4885CYP2C9 1188/4885CYP2C19 1251/4885
US-20090258867-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST CNR1, CNR2, CCKAR CYP1A2 1869/4885CYP2C9 1104/4885CYP2C19 1111/4885

“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.