SCHEMBL6979646

SCHEMBL6979646

O=c1c2ccccc2n(CCCn2ccnc2)c(=O)n1-c1ccncc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
PGR P06401 3/20 0.51
GAA P10253 1/20 0.51
KMT2A Q03164 1/20 0.51
QPCT Q16769 1/20 0.51
MAPK1 P28482 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 1/20 0.45
ESR1 P03372 1/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL6977516 0.94 PGR (0.58) TSHRPGRGAAKMT2AQPCT
SCHEMBL6981436 0.90 CYP1A2 (0.51) TSHRPGRGAAKMT2AQPCT
SCHEMBL6976593 0.90 TSHR (0.49) TSHRPGRGAAKMT2AQPCT
SCHEMBL6978590 0.90 QPCT (0.49) TSHRPGRGAAKMT2AQPCT
SCHEMBL6980755 0.90 TSHR (0.54) TSHRPGRGAAKMT2AQPCT
SCHEMBL6979128 0.90 KMT2A (0.51) TSHRPGRGAAKMT2AQPCT
SCHEMBL6973665 0.90 CYP19A1 (0.50) TSHRPGRGAAKMT2AQPCT
Hydrochloric Acid SCHEMBL7127430 0.89 TSHR (0.48) TSHRPGRGAAKMT2AQPCT
SCHEMBL6981544 0.88 TSHR (0.50) TSHRPGRGAAKMT2AQPCT
SCHEMBL6967449 0.88 TSHR (0.49) TSHRPGRGAAKMT2AQPCT

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 3090/4885PGR 4288/4885GAA 638/4885

“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.