SCHEMBL6976772

SCHEMBL6976772

COc1ccccc1-n1c(=O)c2ccccc2n(CCCn2ccnc2)c1=O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 7/20 0.51
GSK3B P49841 6/20 0.51
TSHR P16473 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPK1 P28482 1/20 0.49
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTR7 P34969 1/20 0.43

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
SCHEMBL6982150 0.87 TSHR (0.52) QPCTTSHRALDH1A1MAPK1GAA
SCHEMBL6978222 0.85 TSHR (0.50) QPCTGSK3BTSHRALDH1A1MAPK1
SCHEMBL6972602 0.85 TSHR (0.49) QPCTTSHRGAAKMT2A
SCHEMBL6977534 0.85 TSHR (0.52) QPCTTSHRALDH1A1MAPK1GAA
SCHEMBL6980842 0.85 TSHR (0.49) QPCTTSHRALDH1A1MAPK1GAA
SCHEMBL6970973 0.84 TSHR (0.59) QPCTGSK3BTSHRALDH1A1MAPK1
SCHEMBL6981013 0.84 TSHR (0.52) QPCTGSK3BTSHRALDH1A1MAPK1
SCHEMBL6982445 0.82 TSHR (0.52) QPCTGSK3BTSHRALDH1A1MAPK1
SCHEMBL6972018 0.82 TSHR (0.47) QPCTTSHRALDH1A1MAPK1GAA
SCHEMBL6982552 0.82 ALDH1A1 (0.50) QPCTGSK3BTSHRALDH1A1MAPK1

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 QPCT 263/4885GSK3B 3383/4885TSHR 3090/4885

“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.