SCHEMBL6978729

SCHEMBL6978729

Cn1ccnc1CCCn1c(=O)n(-c2ccccc2)c(=O)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.59
MAPK8 P45983 2/20 0.46
MAPK9 P45984 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
ADORA2B P29275 1/20 0.40
GRM4 Q14833 1/20 0.40
CNR2 P34972 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 2/20 0.39
GLA P06280 2/20 0.38
HTR7 P34969 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL6980952 0.85 PGR (0.59) PGRMAPK8MAPK9KMT2AMAPT
SCHEMBL7119803 0.84 PGR (0.51) PGRMAPK8MAPK9SMN1; SMN2GRM4
SCHEMBL6980685 0.78 PGR (0.56) PGRMAPK8MAPK9SMN1; SMN2ADORA2B
SCHEMBL6975699 0.78 PGR (0.59) PGRMAPK8MAPK9SMN1; SMN2GRM4
SCHEMBL6979751 0.77 PGR (0.58) PGRMAPK8MAPK9SMN1; SMN2KMT2A
SCHEMBL6967657 0.76 PGR (0.57) PGRMAPK8MAPK9SMN1; SMN2GRM4
Iodide SCHEMBL7117922 0.76 PGR (0.57) PGRMAPK8MAPK9SMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL7124568 0.76 PGR (0.56) PGRMAPK8MAPK9SMN1; SMN2GRM4
SCHEMBL6977516 0.75 PGR (0.58) PGRSMN1; SMN2KMT2AALDH1A1CYP1A2
SCHEMBL7651124 0.74 PGR (0.68) PGRMAPK8MAPK9SMN1; SMN2KMT2A

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 PGR 4288/4885MAPK8 2430/4885MAPK9 2191/4885

“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.