SCHEMBL6970973

SCHEMBL6970973

COc1ccc(-n2c(=O)c3ccccc3n(CCCn3ccnc3)c2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
MAPK1 P28482 2/20 0.59
ALDH1A1 P00352 2/20 0.59
MAPT P10636 1/20 0.54
TP53 P04637 1/20 0.52
GSK3B P49841 1/20 0.51
QPCT Q16769 1/20 0.51
CYP19A1 P11511 2/20 0.50
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
LMNA P02545 2/20 0.48
ATM Q13315 1/20 0.48
PGR P06401 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL6982445 0.90 TSHR (0.52) TSHRMAPK1ALDH1A1MAPTTP53
SCHEMBL6980755 0.89 TSHR (0.54) TSHRMAPK1ALDH1A1GSK3BQPCT
SCHEMBL6977516 0.88 PGR (0.58) TSHRMAPK1ALDH1A1QPCTKMT2A
SCHEMBL6979646 0.87 TSHR (0.52) TSHRMAPK1ALDH1A1QPCTKMT2A
SCHEMBL6978590 0.87 QPCT (0.49) TSHRGSK3BQPCTCYP19A1KMT2A
SCHEMBL6976593 0.87 TSHR (0.49) TSHRMAPK1ALDH1A1QPCTKMT2A
SCHEMBL6979128 0.87 KMT2A (0.51) TSHRQPCTKMT2APGRGAA
SCHEMBL6981436 0.87 CYP1A2 (0.51) TSHRQPCTKMT2APGRCYP1A2
SCHEMBL6974334 0.86 TSHR (0.49) TSHRMAPK1ALDH1A1QPCTKMT2A
Hydrochloric Acid SCHEMBL7127430 0.86 TSHR (0.48) TSHRMAPK1ALDH1A1QPCTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030199530-A1 New compounds derived from quinazoline LES LABORATORIES SERVIER (FR) 2003-10-23 US disclosed
EP-1346992-A1 Quinazoline derivatives, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2003-09-24 EP 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-20030199530-A1 New compounds derived from quinazoline NQO2, XDH, DRD1 TSHR 3090/4885MAPK1 914/4885ALDH1A1 331/4885

“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.