SCHEMBL6958573

SCHEMBL6958573

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nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.44
HTR7 P34969 5/20 0.37
HRH2 P25021 5/20 0.35
HRH1 P35367 5/20 0.35
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR6 P50406 1/20 0.34
PDCD1LG2 Q9BQ51 3/20 0.34
CD274 Q9NZQ7 3/20 0.34
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL6960555 0.93 LTA4H (0.43) LTA4HHTR7HTR1ADRD2
SCHEMBL6980220 0.85 LTA4H (0.48) LTA4HHTR7HRH2HRH1HTR1A
SCHEMBL6980286 0.82 LTA4H (0.52) LTA4HHTR7HRH2HRH1PDCD1LG2
SCHEMBL6960535 0.79 CHRM2 (0.30)
SCHEMBL6958037 0.79 LTA4H (0.42) LTA4H
SCHEMBL6959774 0.79 HTR1A (0.36) HTR7HTR1ADRD2HTR6
SCHEMBL6959771 0.78 KCNA3 (0.32) HRH2HRH1HRH3
SCHEMBL6955686 0.77 GNAI3 (0.34) HRH2HRH1HRH3
SCHEMBL6959283 0.77 HTR1A (0.38) HRH2HRH1HTR1AHRH3
SCHEMBL6961257 0.76 PIK3CD (0.41) HRH3

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-8349857-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2013-01-08 US disclosed
US-8202879-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-06-19 US disclosed
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-17 US disclosed
US-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity SHIONOGI & CO., LTD. (JP) 2009-06-04 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 (2 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-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity ERBB2, EGFR, ABL1 LTA4H 4734/4885HTR7 179/4885HRH2 138/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 LTA4H 4734/4885HTR7 179/4885HRH2 138/4885

“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.