SCHEMBL6977638

SCHEMBL6977638

O=c1c2ccccc2n(CCCc2cncn2Cc2ccccc2)c(=O)n1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.59
CYP11B1 P15538 5/20 0.50
CYP11B2 P19099 5/20 0.50
MAPK8 P45983 3/20 0.50
MAPK9 P45984 2/20 0.50
KMT2A Q03164 1/20 0.44
TP53 P04637 1/20 0.40
MAPT P10636 2/20 0.39
THRB P10828 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
SCHEMBL6982038 0.94 PGR (0.52) PGRCYP11B1CYP11B2MAPK8MAPK9
SCHEMBL6981838 0.94 PGR (0.52) PGRCYP11B1CYP11B2MAPK8MAPK9
SCHEMBL6983316 0.93 PGR (0.51) PGRCYP11B1CYP11B2MAPK8MAPK9
SCHEMBL6981339 0.91 CYP11B1 (0.49) PGRCYP11B1CYP11B2MAPK8MAPK9
SCHEMBL6983308 0.91 CYP11B1 (0.52) PGRCYP11B1CYP11B2KMT2ATP53
SCHEMBL6972587 0.91 PGR (0.48) PGRCYP11B1CYP11B2MAPK8MAPK9
SCHEMBL6979436 0.91 CYP11B1 (0.52) PGRCYP11B1CYP11B2
SCHEMBL6978335 0.89 PGR (0.47) PGRCYP11B1CYP11B2MAPK8MAPK9
SCHEMBL6980468 0.87 TP53 (0.46) PGRCYP11B1CYP11B2TP53MAPT
SCHEMBL6975394 0.86 SMN1; SMN2 (0.43) PGRCYP11B1CYP11B2TP53MAPT

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 4288/4885CYP11B1 162/4885CYP11B2 128/4885

“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.