SCHEMBL6975747

SCHEMBL6975747

CNc1ccc(Sc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
HPGD P15428 3/20 0.47
MAOA P21397 3/20 0.45
MAOB P27338 3/20 0.45
PTGIR P43119 1/20 0.43
SLC6A4 P31645 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM1A O60341 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
MAPK1 P28482 1/20 0.39
CTSK P43235 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MGLL Q99685 1/20 0.38
HSD17B10 Q99714 1/20 0.38
APP P05067 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL11507985 0.90 ALDH1A1 (0.54) TSHRALDH1A1MAPTHPGDPTGIR
SCHEMBL19681865 0.81 MAPT (0.47) TSHRALDH1A1MAPTHPGDPTGIR
SCHEMBL17948202 0.80 ALDH1A1 (0.60) TSHRALDH1A1MAPTHPGDMAOA
SCHEMBL21340418 0.79 MEN1 (0.53) TSHRALDH1A1MAPTHPGDMEN1
SCHEMBL14340779 0.79 NR1H2 (0.64) TSHRALDH1A1MAPTHPGDMEN1
SCHEMBL23277364 0.79 MAOA (0.62) TSHRALDH1A1MAPTHPGDMAOA
SCHEMBL3891151 0.79 MAOA (0.62) TSHRALDH1A1MAPTHPGDMAOA
SCHEMBL795030 0.79 MAOA (0.62) TSHRALDH1A1MAPTHPGDMAOA
SCHEMBL3891569 0.79 MAOA (0.62) TSHRALDH1A1MAPTHPGDMAOA
SCHEMBL9254481 0.78 MAOA (0.40) TSHRALDH1A1MAPTMAOAMAOB

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 TSHR 106/4885ALDH1A1 4593/4885MAPT 4100/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 TSHR 106/4885ALDH1A1 4593/4885MAPT 4100/4885

“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.