SCHEMBL3099110

SCHEMBL3099110

CCCC(C)NC(=O)c1nc(N)nc2ccc(C)cc12

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.53
HSP90AA1 P07900 5/20 0.48
ADORA3 P0DMS8 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
POLB P06746 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL3089779 0.85 ADORA3 (0.56) KCNH2ADORA3SMN1; SMN2POLBL3MBTL1
SCHEMBL3075302 0.85 HSP90AA1 (0.51) HSP90AA1ADORA3SMN1; SMN2POLBNPC1
SCHEMBL3093712 0.84 HSP90AA1 (0.51) KCNH2HSP90AA1ADORA3ALDH1A1
SCHEMBL3093720 0.75 HSP90AA1 (0.49) KCNH2HSP90AA1ADORA3POLBL3MBTL1
SCHEMBL3088463 0.74 HSP90AA1 (0.53) KCNH2HSP90AA1ADORA3ALDH1A1HPGD
SCHEMBL13144854 0.73 HSP90AA1 (0.50) KCNH2HSP90AA1ADORA3NPC1ALDH1A1
SCHEMBL3075313 0.73 HSP90AA1 (0.47) KCNH2HSP90AA1ADORA3NPC1RAB9A
SCHEMBL3099114 0.72 HSP90AA1 (0.49) KCNH2HSP90AA1ADORA3ALDH1A1
SCHEMBL12273345 0.72 HSP90AA1 (0.54) HSP90AA1ADORA3SMN1; SMN2POLBL3MBTL1
SCHEMBL13144845 0.71 HSP90AA1 (0.48) KCNH2HSP90AA1ADORA3SMN1; SMN2NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2164833-B1 Quinazolinamide derivatives useful for the treatment of tumour diseases MERCK PATENT GMBH (DE) 2015-04-15 EP claimed
US-8501754-B2 Quinazolinamide derivatives MERCK PATENT GMBH (DE) 2013-08-06 US claimed
US-20100234324-A1 Quinazolinamide derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-16 US claimed

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-20100234324-A1 Quinazolinamide derivatives HSP90AB1, HSP90AA1, HSP90AB2P KCNH2 2712/4885HSP90AA1 2/4885ADORA3 3301/4885

“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.