SCHEMBL6969321

SCHEMBL6969321

O=c1c2ccccc2n(CCCn2ccnc2)c(=O)n1Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
GAA P10253 1/20 0.56
KMT2A Q03164 1/20 0.54
QPCT Q16769 1/20 0.54
MAPT P10636 1/20 0.51
VEGFA P15692 1/20 0.51
EGLN1 Q9GZT9 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPK1 P28482 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 1/20 0.49
ESR1 P03372 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL6978785 0.91 TSHR (0.51) TSHRGAAKMT2AQPCTMAPK1
SCHEMBL6982149 0.91 TSHR (0.57) TSHRGAAKMT2AQPCTMAPT
SCHEMBL6982405 0.90 TSHR (0.56) TSHRGAAKMT2AQPCTMAPK1
SCHEMBL6974635 0.89 TSHR (0.55) TSHRGAAKMT2AQPCTMAPK1
SCHEMBL6980189 0.86 TSHR (0.52) TSHRGAAKMT2AQPCTCYP1A2
SCHEMBL10654605 0.84 TSHR (0.60) TSHRGAAKMT2AQPCTCYP1A2
SCHEMBL6978069 0.83 TSHR (0.59) TSHRGAAKMT2AQPCTMAPK1
SCHEMBL6977516 0.83 PGR (0.58) TSHRGAAKMT2AQPCTCYP1A2
SCHEMBL6979322 0.82 TSHR (0.53) TSHRGAAKMT2AQPCTCYP1A2
SCHEMBL6967571 0.82 TSHR (0.50) TSHRGAAKMT2AQPCTSMN1; SMN2

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 3090/4885GAA 638/4885KMT2A 2578/4885

“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.