SCHEMBL5743857

SCHEMBL5743857

CSc1nc2nc(Cl)c(-c3c(F)cc(F)cc3F)c(N[C@@H](C)C(F)(F)F)n2n1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
IDH1 O75874 1/20 0.31
CTDSP1 Q9GZU7 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
SCHEMBL5236820 0.85 DHODH (0.37) ALDH1A1IDH1
SCHEMBL14559306 0.83 TP53 (0.34) IDH1
SCHEMBL5744921 0.81
SCHEMBL5745324 0.81 RORC (0.33)
SCHEMBL4818612 0.81 MAPK1 (0.35) KDM4EALDH1A1HPGD
SCHEMBL976390 0.81 MAPK1 (0.35) KDM4EALDH1A1HPGD
SCHEMBL343322 0.81 MAPK1 (0.35) KDM4EALDH1A1HPGD
SCHEMBL5745486 0.79 KDM4E (0.36) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL5233667 0.76 CCNT1 (0.32) IDH1
SCHEMBL14596578 0.76 KMT2A (0.37) KDM4EALDH1A1HPGD

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 4 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
EP-1392695-A2 TRIAZOLOPYRIMIDINES Bayer CropScience AG (DE) 2004-03-03 EP disclosed
WO-2002088127-A2 TRIAZOLOPYRIMIDINES BAYER CROPSCIENCE AG (DE) 2002-11-07 WO 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.