SCHEMBL2106902

SCHEMBL2106902

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
VCAM1 P19320 4/20 0.38
POLB P06746 1/20 0.37
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP19A1 P11511 4/20 0.34
ALDH1A1 P00352 2/20 0.34
DHFR P00374 1/20 0.34
TLR8 Q9NR97 1/20 0.34
KDM4E B2RXH2 2/20 0.33
PIK3C3 Q8NEB9 1/20 0.33
BRAF P15056 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL2107736 0.88 L3MBTL1 (0.37) L3MBTL1POLBNPC1MAPTRAB9A
SCHEMBL1688819 0.85 L3MBTL1 (0.48) L3MBTL1VCAM1POLBNPC1MAPT
SCHEMBL2107084 0.82 SMN1; SMN2 (0.52) POLBNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL4703700 0.82 KDM4E (0.43) L3MBTL1POLBALDH1A1TLR8KDM4E
SCHEMBL27771633 0.81 L3MBTL1 (0.42) L3MBTL1VCAM1POLBNPC1MAPT
SCHEMBL3247563 0.76 CDKN1A (0.53) ALDH1A1TLR8KDM4EBRAF
SCHEMBL1688817 0.75 KDM4E (0.41) L3MBTL1POLBNPC1MAPTRAB9A
SCHEMBL4703709 0.74 KDM4E (0.46) L3MBTL1POLBALDH1A1TLR8KDM4E
SCHEMBL2107212 0.73 NTRK1 (0.60) L3MBTL1POLBNPC1MAPTALDH1A1
SCHEMBL4701446 0.73 KDM4E (0.42) L3MBTL1POLBALDH1A1TLR8KDM4E

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
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-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 3610/4885VCAM1 4317/4885POLB 1351/4885

“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.