SCHEMBL5395876

SCHEMBL5395876

Cn1c(=O)c2c(-c3cccc(C(=O)O)c3)n(Cc3cccc4ccccc34)nc2n(CC2CCCO2)c1=O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSD P07339 4/20 0.48
ADORA3 P0DMS8 2/20 0.43
PTGER4 P35408 1/20 0.43
TSHR P16473 4/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 2/20 0.42
ADORA1 P30542 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL5402577 0.98 CTSD (0.47) CTSDADORA3PTGER4TSHRMAPK1
SCHEMBL5404241 0.89 PDE5A (0.42)
SCHEMBL5407744 0.89 PDE5A (0.45)
SCHEMBL5407569 0.89 PDE5A (0.42)
SCHEMBL5395755 0.86 TSHR (0.46) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL5398394 0.86 MEN1 (0.52) HSD17B10ALDH1A1MEN1KMT2ANPC1
SCHEMBL5410933 0.86 ADORA3 (0.41) ADORA3TSHRALDH1A1ADORA1MEN1
SCHEMBL5404381 0.85 MEN1 (0.42) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL5399997 0.84 ACP1 (0.39) TSHRALDH1A1MEN1KMT2ALMNA
SCHEMBL5410843 0.84 ADORA2B (0.48) TSHRMAPK1ALDH1A1MEN1KMT2A

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 CTSD 3256/4885ADORA3 671/4885PTGER4 926/4885

“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.