SCHEMBL3087758

SCHEMBL3087758

CCCCCNC(=O)c1ccc2nc(N)nc(C(=O)N(CC)CC)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 7/20 0.44
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
BLM P54132 1/20 0.44
CASP7 P55210 1/20 0.44
MCL1 Q07820 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
NAAA Q02083 2/20 0.43
GAA P10253 1/20 0.43
MCHR1 Q99705 1/20 0.43

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
SCHEMBL16628739 0.88 IP6K1 (0.44) ASIC3HPGDALDH1A1KDM4EMAPT
SCHEMBL3087756 0.81 HPGD (0.43) SMN1; SMN2HPGDALDH1A1KDM4EGAA
SCHEMBL3094118 0.76 ADORA3 (0.58) SMN1; SMN2HPGDALDH1A1KDM4EL3MBTL1
SCHEMBL3088463 0.76 HSP90AA1 (0.53) HPGDALDH1A1KDM4EMEN1KMT2A
SCHEMBL16628707 0.75 TLR8 (0.39) ASIC3HPGDALDH1A1MCHR1TLR7
SCHEMBL3092345 0.75 ALDH1A1 (0.41) SMN1; SMN2HPGDALDH1A1KDM4EL3MBTL1
SCHEMBL3088521 0.75 HSP90AB1 (0.45) SMN1; SMN2HPGDALDH1A1KDM4EL3MBTL1
SCHEMBL3087968 0.75 HSP90AA1 (0.47) SMN1; SMN2HPGDALDH1A1KDM4EL3MBTL1
SCHEMBL13144829 0.75 ALDH1A1 (0.41) SMN1; SMN2HPGDALDH1A1KMT2A
SCHEMBL3096053 0.75 ADORA3 (0.59) SMN1; SMN2NAAACYP2D6CYP2C9TLR7

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 disclosed
US-20100234324-A1 Quinazolinamide derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-16 US 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-20100234324-A1 Quinazolinamide derivatives HSP90AB1, HSP90AA1, HSP90AB2P ASIC3 3171/4885SMN1; SMN2 3148/4885HPGD 574/4885

“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.