SCHEMBL5745486

SCHEMBL5745486

CSc1nc2nc(Cl)c(-c3c(F)cc(F)cc3F)c(Cl)n2n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.36
ALDH1A1 P00352 5/20 0.36
HPGD P15428 4/20 0.36
HSD17B10 Q99714 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HTT P42858 1/20 0.31
ABCB1 P08183 1/20 0.30

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
SCHEMBL6480083 0.83
SCHEMBL5743857 0.79 KDM4E (0.35) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL6479391 0.79
SCHEMBL6206302 0.78 ABCB1 (0.48) ALDH1A1LMNAABCB1
SCHEMBL5227759 0.77 DHODH (0.38) ALDH1A1KMT2A
SCHEMBL5746574 0.76 KDM4E (0.33) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL2831581 0.76 KMT2A (0.33) KDM4EALDH1A1HPGDSMN1; SMN2CTDSP1
SCHEMBL6208741 0.76
SCHEMBL5744859 0.76 KDM4E (0.36) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL3276173 0.71 ALDH1A1 (0.39) KDM4EALDH1A1HPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392695-B1 TRIAZOLOPYRIMIDINES BAYER CROPSCIENCE AG (DE) 2006-10-04 EP disclosed
US-20040157863-A1 Triazolopyrimidines BAYER CROPSCIENCE AG (DE) 2004-08-12 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-20040157863-A1 Triazolopyrimidines Q6ZSR9, UMPS, MRPL21 KDM4E 3275/4885ALDH1A1 273/4885HPGD 2119/4885

“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.