SCHEMBL6981612

SCHEMBL6981612

COc1ccc(Cn2cncc2CCCn2c(=O)n(-c3ccc(Cl)cc3)c(=O)c3ccccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
TP53 P04637 1/20 0.49
CYP11B1 P15538 4/20 0.49
CYP11B2 P19099 4/20 0.49
GABRA5 P31644 1/20 0.43
KMT2A Q03164 3/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 1/20 0.42
THRB P10828 1/20 0.42
PGR P06401 1/20 0.41
P2RX4 Q99571 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
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL6983308 0.94 CYP11B1 (0.52) MAPTTP53CYP11B1CYP11B2GABRA5
SCHEMBL6981339 0.93 CYP11B1 (0.49) MAPTTP53CYP11B1CYP11B2KMT2A
SCHEMBL6980468 0.91 TP53 (0.46) MAPTTP53CYP11B1CYP11B2PGR
SCHEMBL6982038 0.90 PGR (0.52) MAPTTP53CYP11B1CYP11B2KMT2A
SCHEMBL6981838 0.90 PGR (0.52) MAPTTP53CYP11B1CYP11B2KMT2A
SCHEMBL6975107 0.88 RXFP1 (0.48) MAPTTP53CYP11B1CYP11B2KMT2A
SCHEMBL6980086 0.87 TP53 (0.47) MAPTTP53CYP11B1CYP11B2GABRA5
SCHEMBL6975268 0.87 CYP11B1 (0.43) TP53CYP11B1CYP11B2KMT2ATHRB
SCHEMBL6982277 0.87 CYP11B1 (0.49) CYP11B1CYP11B2PGR
SCHEMBL6980359 0.87 CYP11B1 (0.49) MAPTTP53CYP11B1CYP11B2GABRA5

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 MAPT 2477/4885TP53 3198/4885CYP11B1 162/4885

“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.