SCHEMBL5403905

SCHEMBL5403905

Cn1c(=O)c2c(-c3ccncc3)n(Cc3cccc4ccccc34)nc2n(Cc2ccccc2Cl)c1=O

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 5/20 0.43
HTT P42858 3/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
USP2 O75604 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
THRB P10828 1/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
NPBWR1 P48145 1/20 0.41

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
SCHEMBL5398837 0.94 NPBWR1 (0.40) TSHRLMNAALDH1A1HTTMAPT
SCHEMBL5398362 0.92 ALDH1A1 (0.41) TSHRLMNAALDH1A1HTTMAPT
SCHEMBL5393463 0.91 HPGD (0.44) TSHRLMNAALDH1A1HTTMAPT
SCHEMBL5404607 0.90 IDO1 (0.46) TSHRLMNAALDH1A1HTTMAPT
SCHEMBL5404180 0.88 ALDH1A1 (0.45) TSHRLMNAALDH1A1HTTMAPT
SCHEMBL5408070 0.88 PIK3CD (0.42) TSHRLMNAALDH1A1HTTMAPT
SCHEMBL5400099 0.88 MAPT (0.46) TSHRLMNAALDH1A1HTTMAPT
SCHEMBL5402662 0.88 MEN1 (0.40) TSHRLMNAALDH1A1HTTMAPT
SCHEMBL5408027 0.87 NPBWR1 (0.38) NPBWR1
SCHEMBL5395371 0.87 SLC16A1 (0.52) TSHRLMNAALDH1A1HTTMAPT

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 TSHR 3317/4885LMNA 4673/4885ALDH1A1 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.