SCHEMBL6972602

SCHEMBL6972602

O=c1c2ccccc2n(CCCn2ccnc2)c(=O)n1-c1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
QPCT Q16769 1/20 0.48
CHEK1 O14757 2/20 0.47
WEE1 P30291 2/20 0.47
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL6978222 0.88 TSHR (0.50) TSHRGAAKMT2AQPCTHSD17B10
SCHEMBL6977534 0.87 TSHR (0.52) TSHRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6980842 0.87 TSHR (0.49) TSHRGAAKMT2AQPCTHSD17B10
SCHEMBL6982150 0.87 TSHR (0.52) TSHRGAAKMT2AQPCT
SCHEMBL6980841 0.85 CYP1A2 (0.51) TSHRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6981436 0.85 CYP1A2 (0.51) TSHRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6981013 0.85 TSHR (0.52) TSHRSMN1; SMN2GAAKMT2AQPCT
SCHEMBL6972018 0.85 TSHR (0.47) TSHRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6976772 0.85 QPCT (0.51) TSHRGAAKMT2AQPCT
SCHEMBL6982552 0.85 ALDH1A1 (0.50) TSHRGAAKMT2AQPCTKDM4E

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 3090/4885CYP1A2 105/4885CYP3A4 166/4885

“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.