SCHEMBL6981031

SCHEMBL6981031

O=c1[nH]c2ccccc2c(=O)n1CC1CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.64
MAPK10 P53779 2/20 0.64
CYP1A2 P05177 1/20 0.62
HPGD P15428 5/20 0.60
ALDH1A1 P00352 5/20 0.60
KDM4E B2RXH2 3/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
ACHE P22303 1/20 0.56
TSHR P16473 3/20 0.56
MAPK1 P28482 1/20 0.52
LMNA P02545 1/20 0.52
MPO P05164 2/20 0.51
NPSR1 Q6W5P4 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA2B P29275 1/20 0.50
ADORA1 P30542 1/20 0.50
CA12 O43570 1/20 0.50
RNASEH1 O60930 1/20 0.50
ERCC1 P07992 1/20 0.50

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
SCHEMBL15090840 0.93 CYP1A2 (0.57) HSD17B10MAPK10CYP1A2HPGDALDH1A1
SCHEMBL11893787 0.89 MAPK10 (0.70) HSD17B10MAPK10CYP1A2HPGDALDH1A1
SCHEMBL1669092 0.89 MAPK10 (0.70) HSD17B10MAPK10CYP1A2HPGDALDH1A1
SCHEMBL11893897 0.88 MAPK10 (0.54) HSD17B10MAPK10CYP1A2HPGDALDH1A1
SCHEMBL11949785 0.86 MAPK10 (0.86) HSD17B10MAPK10CYP1A2HPGDALDH1A1
SCHEMBL17796206 0.86 MAPK10 (0.66) HSD17B10MAPK10CYP1A2HPGDALDH1A1
SCHEMBL1667021 0.85 TSHR (0.63) HSD17B10MAPK10CYP1A2HPGDALDH1A1
SCHEMBL11893723 0.85 TSHR (0.63) HSD17B10MAPK10CYP1A2HPGDALDH1A1
SCHEMBL11949764 0.83 MAPK10 (0.81) HSD17B10MAPK10CYP1A2HPGDALDH1A1
SCHEMBL11960890 0.83 MAPK10 (0.63) HSD17B10MAPK10HPGDALDH1A1KDM4E

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 HSD17B10 3249/4885MAPK10 2573/4885CYP1A2 105/4885

“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.