SCHEMBL6980841

SCHEMBL6980841

O=c1c2ccccc2n(CCCn2ccnc2)c(=O)n1-c1cc(Cl)cc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
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
CHEK1 O14757 3/20 0.49
WEE1 P30291 3/20 0.49
TSHR P16473 1/20 0.49
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
QPCT Q16769 1/20 0.48

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
SCHEMBL6979105 0.92 CYP1A2 (0.52) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6981436 0.92 CYP1A2 (0.51) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6977516 0.89 PGR (0.58) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6980465 0.89 CYP1A2 (0.48) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6979646 0.88 TSHR (0.52) TSHRGAAKMT2AQPCT
SCHEMBL6980301 0.86 TSHR (0.46) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6980755 0.85 TSHR (0.54) SMN1; SMN2TSHRGAAKMT2AQPCT
SCHEMBL6979128 0.85 KMT2A (0.51) TSHRGAAKMT2AQPCT
SCHEMBL6978590 0.85 QPCT (0.49) TSHRGAAKMT2AQPCT
SCHEMBL6967449 0.85 TSHR (0.49) TSHRGAAKMT2AQPCT

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 CYP1A2 105/4885CYP3A4 166/4885CYP2D6 100/4885

“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.