SCHEMBL4801611

SCHEMBL4801611

CC(=O)OCc1nc2c(S)ncnc2s1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
MKNK1 Q9BUB5 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 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
SCHEMBL5064708 0.81 CYP1A2 (0.43) CYP1A2CYP2C19MKNK1ALDH1A1
SCHEMBL16024218 0.66 MKNK1 (0.45) MKNK1
SCHEMBL6840358 0.63 CYP1A2 (0.46) CYP1A2CYP2C19ALDH1A1
SCHEMBL5639344 0.63 CYP1A2 (0.43) CYP1A2CYP2C19ALDH1A1
SCHEMBL5637413 0.62 CYP1A2 (0.45) CYP1A2CYP2C19ALDH1A1
SCHEMBL8316849 0.61 ALDH1A1 (0.46) CYP1A2CYP2C19ALDH1A1
SCHEMBL743224 0.61 MAPT (0.47) CYP1A2CYP2C19ALDH1A1
SCHEMBL13593122 0.61 CYP1A2 (0.44) CYP1A2CYP2C19ALDH1A1
SCHEMBL27002200 0.60 CA2 (0.36) CYP1A2CYP2C19ALDH1A1
SCHEMBL28758323 0.60 ALDH1A1 (0.42) CYP1A2CYP2C19ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7427616-B2 Condensed pyridines and pyrimidines with tie2 (TEK) activity ASTRAZENECA AB (SE) 2008-09-23 US disclosed
EP-1537112-B1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2006-04-19 EP disclosed
US-20050256140-A1 Condensed pyridines and pyrimidines with tie2 (tek) activity ASTRAZENECA AB (SE) 2005-11-17 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-20050256140-A1 Condensed pyridines and pyrimidines with tie2 (tek) activity TIE1, TEK, KDR CYP1A2 1052/4885CYP2C19 1787/4885MKNK1 1772/4885

“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.