SCHEMBL6976681

SCHEMBL6976681

N#Cc1cccc(-n2c(=O)c3ccccc3n(CCCn3ccnc3)c2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
FNTA P49354 2/20 0.46
FNTB P49356 2/20 0.46
TSHR P16473 1/20 0.45
TBXAS1 P24557 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
QPCT Q16769 1/20 0.44
CYP19A1 P11511 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
PGR P06401 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL6977928 0.89 TSHR (0.47) ALDH1A1KDM4ELMNAHPGDCASP1
SCHEMBL6979105 0.86 CYP1A2 (0.52) TSHRGAAKMT2AQPCTCYP1A2
SCHEMBL6977516 0.86 PGR (0.58) ALDH1A1HSD17B10TSHRGAAKMT2A
SCHEMBL6981540 0.85 TSHR (0.47) TSHRGAAKMT2AQPCTPGR
SCHEMBL6979415 0.85 TSHR (0.49) FNTAFNTBTSHRGAAKMT2A
SCHEMBL6982445 0.84 TSHR (0.52) ALDH1A1LMNATSHRGAAKMT2A
SCHEMBL6979316 0.83 TSHR (0.47) ALDH1A1TSHRGAAKMT2AQPCT
SCHEMBL6979770 0.83 FNTA (0.46) LMNAFNTAFNTBTSHRGAA
SCHEMBL6979646 0.83 TSHR (0.52) ALDH1A1HSD17B10TSHRGAAKMT2A
SCHEMBL6979210 0.82 PDE4A (0.55) ALDH1A1TSHRGAAKMT2AQPCT

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 ALDH1A1 331/4885KDM4E 4217/4885LMNA 1468/4885

“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.