SCHEMBL2107736

SCHEMBL2107736

CN(c1cc(-c2ccnc3c([N+](=O)[O-])cnn23)ccc1F)S(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP19A1 P11511 9/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 2/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
AKR1B1 P15121 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
TLR8 Q9NR97 1/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
BRAF P15056 1/20 0.33
PIK3C3 Q8NEB9 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
SCHEMBL2106902 0.88 L3MBTL1 (0.46) L3MBTL1KDM4ECYP19A1ALDH1A1NPC1
SCHEMBL1688817 0.85 KDM4E (0.41) L3MBTL1KDM4EALDH1A1NPC1MAPT
SCHEMBL1688835 0.82 SMN1; SMN2 (0.52) KDM4EALDH1A1NPC1MAPTRAB9A
SCHEMBL4703700 0.82 KDM4E (0.43) L3MBTL1KDM4EALDH1A1POLBTLR8
SCHEMBL27792750 0.81 L3MBTL1 (0.34) L3MBTL1KDM4EALDH1A1NPC1MAPT
SCHEMBL3243650 0.76 CDKN1A (0.53) L3MBTL1KDM4EALDH1A1NPC1MAPT
SCHEMBL1688819 0.75 L3MBTL1 (0.48) L3MBTL1KDM4EALDH1A1NPC1MAPT
SCHEMBL4703709 0.74 KDM4E (0.46) L3MBTL1KDM4EALDH1A1POLBTLR8
SCHEMBL2108236 0.73 NTRK1 (0.57) KDM4EALDH1A1NPC1MAPTRAB9A
SCHEMBL4701446 0.73 KDM4E (0.42) L3MBTL1KDM4EALDH1A1POLBTLR8

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 8 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-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
US-20090264448-A1 PYRAZOLO[1,5-A]PYRIMIDINES, PROCESSES, USES AND COMPOSITIONS FERRER INTERNATIONAL, S.A. (ES) 2009-10-22 US 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 3610/4885KDM4E 740/4885CYP19A1 1174/4885

“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.