SCHEMBL4197546

SCHEMBL4197546

Nc1ccc2c(ccn2Cc2nccs2)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.43
PRKCI P41743 1/20 0.41
HTR6 P50406 1/20 0.39
PLAU P00749 2/20 0.39
CYP2C19 P33261 1/20 0.37
EGFR P00533 4/20 0.37
NTSR1 P30989 1/20 0.36
PLG P00747 1/20 0.35
MAPT P10636 1/20 0.33

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
SCHEMBL4207596 0.78 PLG (0.45) PLAUPLG
SCHEMBL3377324 0.78 ERBB2 (0.43) TLR7CYP2C19EGFR
SCHEMBL7086252 0.74 HTR6 (0.54) PRKCIHTR6PLAUEGFRPLG
SCHEMBL31661563 0.74 HTR6 (0.54) PRKCIHTR6PLAUEGFRPLG
SCHEMBL31661504 0.73 SLC2A1 (0.54) TLR7PRKCIHTR6PLAUCYP2C19
SCHEMBL3507524 0.73 SLC2A1 (0.54) TLR7PRKCIHTR6PLAUCYP2C19
SCHEMBL31036110 0.72 MAOB (0.42) PRKCIHTR6PLAUEGFRNTSR1
SCHEMBL29263685 0.72 MAOB (0.42) PRKCIHTR6PLAUEGFRNTSR1
SCHEMBL3509678 0.72 PRKCI (0.41) PRKCIHTR6PLAUEGFRNTSR1
SCHEMBL30365023 0.72 PRKCI (0.41) PRKCIHTR6PLAUEGFRNTSR1

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
US-20090239861-A1 QUINAZOLINE DERIVATIVES AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2009-09-24 US disclosed
CN-101365695-A Quinazoline derivatives as anticancer agents ASTRAZENECA AB (SE) 2009-02-11 CN disclosed
EP-1940825-A1 QUINAZOLINE DERIVATIVES AS ANTICANCER AGENTS Astra Zeneca AB (SE) 2008-07-09 EP disclosed
WO-2007034143-A1 QUINAZOLINE DERIVATIVES AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2007-03-29 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-20090239861-A1 QUINAZOLINE DERIVATIVES AS ANTICANCER AGENTS ABL1, ERBB2, CDK2 TLR7 768/4885PRKCI 1133/4885HTR6 2648/4885

“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.