SCHEMBL6980086

SCHEMBL6980086

COc1ccc(Cn2cncc2CCCn2c(=O)n(-c3cccc(Br)c3)c(=O)c3ccccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.47
CYP11B1 P15538 3/20 0.46
CYP11B2 P19099 3/20 0.46
MAPT P10636 1/20 0.44
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
RXFP1 Q9HBX9 3/20 0.41
KMT2A Q03164 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
GABRA5 P31644 1/20 0.41
THRB P10828 1/20 0.40
PGR P06401 2/20 0.39
P2RX4 Q99571 1/20 0.39
IDO1 P14902 1/20 0.39

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
SCHEMBL6982742 0.91 PGR (0.41) TP53CYP11B1CYP11B2MAPTKMT2A
SCHEMBL6983308 0.91 CYP11B1 (0.52) TP53CYP11B1CYP11B2MAPTLMNA
SCHEMBL6972587 0.91 PGR (0.48) TP53CYP11B1CYP11B2MAPTKMT2A
SCHEMBL6982647 0.90 CYP11B1 (0.43) TP53CYP11B1CYP11B2MAPTKMT2A
SCHEMBL6981944 0.88 FNTA (0.48) CYP11B1CYP11B2
SCHEMBL6981612 0.87 MAPT (0.53) TP53CYP11B1CYP11B2MAPTLMNA
SCHEMBL6980359 0.84 CYP11B1 (0.49) TP53CYP11B1CYP11B2MAPTKMT2A
SCHEMBL6978458 0.83 PGR (0.47) TP53LMNARXFP1KMT2ATHRB
SCHEMBL6975107 0.82 RXFP1 (0.48) TP53CYP11B1CYP11B2MAPTLMNA
SCHEMBL6977638 0.82 PGR (0.59) TP53CYP11B1CYP11B2MAPTKMT2A

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 TP53 3198/4885CYP11B1 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.