SCHEMBL6982445

SCHEMBL6982445

COc1cccc(-n2c(=O)c3ccccc3n(CCCn3ccnc3)c2=O)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
MAPK1 P28482 2/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 2/20 0.47
PGR P06401 1/20 0.47
TP53 P04637 1/20 0.46
QPCT Q16769 4/20 0.46
GSK3B P49841 3/20 0.46
CYP19A1 P11511 1/20 0.46
CYP24A1 Q07973 1/20 0.45
MAPT P10636 1/20 0.45
HTR7 P34969 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL6970973 0.90 TSHR (0.59) TSHRMAPK1ALDH1A1LMNAPGR
SCHEMBL6979105 0.87 CYP1A2 (0.52) TSHRTP53QPCTMAPTGAA
SCHEMBL6977516 0.87 PGR (0.58) TSHRMAPK1ALDH1A1PGRQPCT
SCHEMBL6981540 0.86 TSHR (0.47) TSHRPGRQPCTGSK3BGAA
SCHEMBL6979415 0.86 TSHR (0.49) TSHRPGRQPCTCYP19A1GAA
SCHEMBL6979316 0.86 TSHR (0.47) TSHRMAPK1ALDH1A1PGRQPCT
SCHEMBL6979770 0.84 FNTA (0.46) TSHRLMNAPGRQPCTCYP19A1
SCHEMBL6976681 0.84 ALDH1A1 (0.46) TSHRALDH1A1LMNAPGRQPCT
SCHEMBL6979646 0.84 TSHR (0.52) TSHRMAPK1ALDH1A1PGRQPCT
SCHEMBL6979210 0.83 PDE4A (0.55) TSHRALDH1A1PGRTP53QPCT

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 TSHR 3090/4885MAPK1 914/4885ALDH1A1 331/4885

“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.