SCHEMBL2107084

SCHEMBL2107084

CN(c1cc(-c2ccnc3c(C#N)cnn23)ccc1Cl)S(C)(=O)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 8/20 0.51
ALDH1A1 P00352 5/20 0.51
HPGD P15428 2/20 0.51
CLK4 Q9HAZ1 1/20 0.51
MAPK1 P28482 2/20 0.48
GABRA1 P14867 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA2 P47869 1/20 0.48
GABRB2 P47870 1/20 0.48
AOX1 Q06278 1/20 0.48
PDE3A Q14432 1/20 0.48
MDM2 Q00987 1/20 0.43
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KDM4D Q6B0I6 1/20 0.37
GLA P06280 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL1688835 0.88 SMN1; SMN2 (0.52) SMN1; SMN2KDM4EALDH1A1HPGDCLK4
SCHEMBL1688826 0.84 KDM4E (0.58) SMN1; SMN2KDM4EALDH1A1HPGDCLK4
SCHEMBL2106902 0.82 L3MBTL1 (0.46) SMN1; SMN2KDM4EALDH1A1LMNAPOLB
SCHEMBL1878099 0.82 KDM4E (0.65) SMN1; SMN2KDM4EALDH1A1HPGDCLK4
SCHEMBL2107212 0.81 NTRK1 (0.60) KDM4EALDH1A1HPGDLMNAPOLB
SCHEMBL10557927 0.80 KDM4E (0.65) SMN1; SMN2KDM4EALDH1A1HPGDCLK4
SCHEMBL3247563 0.76 CDKN1A (0.53) KDM4EALDH1A1CLK4PIM1TLR8
SCHEMBL9468406 0.74 KDM4E (0.74) SMN1; SMN2KDM4EALDH1A1HPGDCLK4
SCHEMBL1880177 0.74 KDM4E (0.68) SMN1; SMN2KDM4EALDH1A1HPGDCLK4
SCHEMBL1688829 0.74 KDM4E (0.58) SMN1; SMN2KDM4EALDH1A1HPGDCLK4

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 SMN1; SMN2 1079/4885KDM4E 740/4885ALDH1A1 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.