SCHEMBL5400486

SCHEMBL5400486

CC(C)Cn1c(=O)n(C)c(=O)c2c(-c3ccncc3)n(Cc3cccc(C(F)(F)F)c3F)nc21

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 13/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38

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
SCHEMBL5399629 0.90 PDE1A (0.38) SLC16A1KDM4EALDH1A1TSHRHSD17B10
SCHEMBL6677611 0.87 PDE1A (0.36) SLC16A1TSHR
SCHEMBL5419638 0.85 PDE1A (0.39) SLC16A1ALDH1A1TSHRGRIN1GRIN2B
SCHEMBL5403011 0.83 ADORA2A (0.40) SLC16A1
SCHEMBL5395371 0.82 SLC16A1 (0.52) SLC16A1ALDH1A1TSHRNPSR1
SCHEMBL5404652 0.82 RIPK3 (0.41)
SCHEMBL5400574 0.82 ADORA2B (0.48) KDM4EALDH1A1HPGDTSHRNPSR1
SCHEMBL5393955 0.80 NR1H2 (0.45) SLC16A1KDM4EALDH1A1HPGDTSHR
SCHEMBL5419589 0.80 PDE1A (0.52) HPGD
SCHEMBL5395309 0.80 PDE1A (0.37) SLC16A1TSHR

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
US-7285558-B2 Pyrazolo[3,4-d]pyrimidines inhibiting H. pylori infections ASTRAZENECA AB (SE) 2007-10-23 US disclosed
US-20040254183-A1 Pyrazolo[3,4-d]pyrimidines inhibiting h. pylori infections ASTRAZENECA AB (SE) 2004-12-16 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-20040254183-A1 Pyrazolo[3,4-d]pyrimidines inhibiting h. pylori infections DPYD, HPGDS, PGC SLC16A1 4140/4885KDM4E 3332/4885ALDH1A1 903/4885

“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.