SCHEMBL4693576

SCHEMBL4693576

N#Cc1cnn2c(O)c(-c3ncccc3C(F)(F)F)c(O)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 1/20 0.45
TGFBR1 P36897 3/20 0.42
KDM4E B2RXH2 4/20 0.40
PDE2A O00408 2/20 0.38
ALDH1A1 P00352 4/20 0.37
HPGD P15428 3/20 0.37
CLK4 Q9HAZ1 1/20 0.37
TRPV1 Q8NER1 2/20 0.36
CDK2 P24941 1/20 0.36
CSNK2A1 P68400 5/20 0.35
GLA P06280 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
TP53 P04637 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
SCHEMBL14257265 0.90 KDM4D (0.43) KDM4DTGFBR1KDM4EPDE2AALDH1A1
SCHEMBL4691354 0.81 KDM4D (0.44) KDM4DTGFBR1KDM4EPDE2AALDH1A1
SCHEMBL4692101 0.76 PDE2A (0.41) KDM4DTGFBR1KDM4EPDE2AALDH1A1
SCHEMBL5466991 0.75 KDM4E (0.37) KDM4EPDE2AALDH1A1HPGDTRPV1
SCHEMBL14587905 0.74 TGFBR1 (0.40) KDM4DTGFBR1KDM4EPDE2AALDH1A1
SCHEMBL5324293 0.70 KDM4E (0.43) KDM4DKDM4EALDH1A1HPGDCLK4
SCHEMBL18863632 0.70 CSNK2A1 (0.44) KDM4DKDM4EALDH1A1HPGDCLK4
SCHEMBL5444175 0.68 TRPV1 (0.35) TRPV1
SCHEMBL4691853 0.67 CSNK2A1 (0.44) KDM4DKDM4EALDH1A1HPGDCDK2
SCHEMBL11464623 0.66 KDM4E (0.62) KDM4DTGFBR1KDM4EPDE2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641800-B1 PYRAZOLOPYRIMIDINES BAYER CROPSCIENCE AG (DE) 2008-03-05 EP disclosed
EP-1641800-B1 PYRAZOLOPYRIMIDINES BAYER CROPSCIENCE AG (DE) 2008-03-05 EP disclosed
US-20070037828-A1 Pyrazolopyrimidines BAYER CROPSCIENCE AG (DE) 2007-02-15 US disclosed
US-20070037828-A1 Pyrazolopyrimidines BAYER CROPSCIENCE AG (DE) 2007-02-15 US disclosed
US-20070037828-A1 Pyrazolopyrimidines BAYER CROPSCIENCE AG (DE) 2007-02-15 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 (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-20070037828-A1 Pyrazolopyrimidines DPYD, RPLP2, Q6ZSR9 KDM4D 2309/4885TGFBR1 4264/4885KDM4E 3205/4885

“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.