SCHEMBL6979470

SCHEMBL6979470

CNc1ccc(OCc2cccc(C#N)c2)c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 6/20 0.57
HTR6 P50406 2/20 0.48
SLC6A4 P31645 2/20 0.45
SCN8A Q9UQD0 1/20 0.44
XDH P47989 1/20 0.44
MAOB P27338 1/20 0.44
PDCD1 Q15116 2/20 0.43
CD274 Q9NZQ7 2/20 0.43
SGMS2 Q8NHU3 1/20 0.43
CCR5 P51681 1/20 0.43
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43

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
SCHEMBL9975339 0.86 MRGPRX4 (0.70) MRGPRX4HTR6SLC6A4PDCD1CD274
SCHEMBL14548608 0.84 MRGPRX4 (0.51) MRGPRX4HTR6SLC6A4XDHPDCD1
SCHEMBL21340514 0.82 FFAR1 (0.56) MRGPRX4MAOBFFAR1FFAR4
SCHEMBL6979978 0.81 FFAR4 (0.54) MRGPRX4FFAR4
SCHEMBL6980764 0.80 MRGPRX4 (0.54) MRGPRX4HTR6MAOB
SCHEMBL6979387 0.74 FFAR1 (0.42) MAOBFFAR1
SCHEMBL20630916 0.74 HTR6 (0.62) MRGPRX4HTR6SLC6A4MAOBPDCD1
SCHEMBL22469778 0.74 MRGPRX4 (0.76) MRGPRX4HTR6SLC6A4MAOBPDCD1
SCHEMBL13814708 0.74 ALDH1A1 (0.47) HTR6SLC6A4
SCHEMBL31568445 0.74 MRGPRX4 (0.76) MRGPRX4HTR6SLC6A4MAOBPDCD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-17 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-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 MRGPRX4 952/4885HTR6 755/4885SLC6A4 1036/4885

“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.