SCHEMBL6978593

SCHEMBL6978593

CNCCCON=C(C)C

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 1/20 0.36
EPHX1 P07099 1/20 0.32
KDM4E B2RXH2 2/20 0.31
POLB P06746 1/20 0.31
HRH1 P35367 2/20 0.31
SLC6A4 P31645 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL6978474 0.86
SCHEMBL12446939 0.77 ADRB2 (0.40) HTR1BKDM4EALDH1A1
SCHEMBL14878210 0.77 HTR1B (0.31) HTR1B
SCHEMBL13488640 0.73
SCHEMBL7247798 0.73
SCHEMBL8957114 0.73
SCHEMBL10767591 0.71 ESR1 (0.41)
SCHEMBL19121022 0.71 HTR1B (0.30) HTR1B
SCHEMBL1115654 0.70 HTR1B (0.51) HTR1BHRH1
SCHEMBL10142035 0.70 CES2 (0.43)

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 5 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-20110257391-A1 PROCESS FOR PRODUCTION OF QUINAZOLINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2011-10-20 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 (3 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-20110257391-A1 PROCESS FOR PRODUCTION OF QUINAZOLINE DERIVATIVE ABL1, MAP2K5, MAP2K2 HTR1B 1287/4885EPHX1 3385/4885KDM4E 541/4885
US-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity ERBB2, EGFR, ABL1 HTR1B 669/4885EPHX1 4148/4885KDM4E 2805/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 HTR1B 669/4885EPHX1 4148/4885KDM4E 2805/4885

“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.