SCHEMBL1688819

SCHEMBL1688819

CC(=O)N(C)c1cc(-c2ccnc3c([N+](=O)[O-])cnn23)ccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
POLB P06746 2/20 0.41
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 4/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
MAPK1 P28482 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
AOX1 Q06278 1/20 0.38
PDE3A Q14432 1/20 0.38
TLR8 Q9NR97 1/20 0.37
VCAM1 P19320 1/20 0.35
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAP2K1 Q02750 1/20 0.34
CLK4 Q9HAZ1 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
SCHEMBL1688817 0.88 KDM4E (0.41) L3MBTL1POLBALDH1A1KDM4EGABRA1
SCHEMBL2106902 0.85 L3MBTL1 (0.46) L3MBTL1POLBALDH1A1KDM4ETLR8
SCHEMBL27771633 0.82 L3MBTL1 (0.42) L3MBTL1POLBALDH1A1KDM4EGABRA1
SCHEMBL4700623 0.82 KDM4E (0.52) L3MBTL1POLBALDH1A1KDM4EGABRA1
SCHEMBL1688826 0.81 KDM4E (0.58) POLBALDH1A1KDM4EGABRA1GABRG2
SCHEMBL3241433 0.76 CDKN1A (0.54) ALDH1A1KDM4EGABRA1GABRG2GABRB3
SCHEMBL2107736 0.75 L3MBTL1 (0.37) L3MBTL1POLBALDH1A1KDM4ETLR8
SCHEMBL4699738 0.74 KDM4E (0.69) L3MBTL1POLBALDH1A1KDM4EGABRA1
SCHEMBL2106919 0.72 NTRK1 (0.60) L3MBTL1POLBALDH1A1KDM4EGABRA1
SCHEMBL4700626 0.72 KDM4E (0.59) L3MBTL1POLBALDH1A1KDM4EGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158632-B2 Pyrazolo[1,5-a]pyrimidines, processes, uses and compositions FERRER INTERNACIONAL, S.A. (ES) 2012-04-17 US claimed
EP-2059521-B1 PYRAZOLO[1,5-A]PYRIMIDINES, PROCESSES, USES AND COMPOSITIONS FERRER INT (ES) 2010-06-02 EP claimed
US-20090264448-A1 PYRAZOLO[1,5-A]PYRIMIDINES, PROCESSES, USES AND COMPOSITIONS FERRER INTERNATIONAL, S.A. (ES) 2009-10-22 US claimed
EP-2059521-A1 PYRAZOLO[1,5-A]PYRIMIDINES, PROCESSES, USES AND COMPOSITIONS Ferrer Internacional, S.A. (ES) 2009-05-20 EP claimed
WO-2008015253-A1 PYRAZOLO[1,5-A]PYRIMIDINES, PROCESSES, USES AND COMPOSITIONS FERRER INTERNACIONAL, S.A. (ES) 2008-02-07 WO claimed
EP-1884516-A1 Pyrazolo[1,5-a]pyrimidines, processes, uses and compositions FERRER INTERNACIONAL, S.A. (ES) 2008-02-06 EP claimed
US-8158632-B2 Pyrazolo[1,5-a]pyrimidines, processes, uses and compositions FERRER INTERNACIONAL, S.A. (ES) 2012-04-17 US disclosed
EP-2059521-B1 PYRAZOLO[1,5-A]PYRIMIDINES, PROCESSES, USES AND COMPOSITIONS FERRER INT (ES) 2010-06-02 EP disclosed
CN-101641359-A Pyrazolo [1,5-a] miazines, method, purposes and composition FERRER INT ES 2010-02-03 CN disclosed
US-20090264448-A1 PYRAZOLO[1,5-A]PYRIMIDINES, PROCESSES, USES AND COMPOSITIONS FERRER INTERNATIONAL, S.A. (ES) 2009-10-22 US disclosed
EP-2059521-A1 PYRAZOLO[1,5-A]PYRIMIDINES, PROCESSES, USES AND COMPOSITIONS Ferrer Internacional, S.A. (ES) 2009-05-20 EP disclosed
WO-2008015253-A1 PYRAZOLO[1,5-A]PYRIMIDINES, PROCESSES, USES AND COMPOSITIONS FERRER INTERNACIONAL, S.A. (ES) 2008-02-07 WO disclosed
EP-1884516-A1 Pyrazolo[1,5-a]pyrimidines, processes, uses and compositions FERRER INTERNACIONAL, S.A. (ES) 2008-02-06 EP 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-20090264448-A1 PYRAZOLO[1,5-A]PYRIMIDINES, PROCESSES, USES AND COMPOSITIONS P2RX5, GABRA5, P2RX1 L3MBTL1 3610/4885POLB 1351/4885ALDH1A1 1005/4885

“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.