SCHEMBL3089581

SCHEMBL3089581

CCN(CC)C(=O)c1nc(N)nc2ccc(-c3ccccc3)cc12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.50
ALDH1A1 P00352 4/20 0.50
MAPT P10636 1/20 0.50
LMNA P02545 2/20 0.45
DHFR P00374 1/20 0.45
NLRP3 Q96P20 1/20 0.44
NPC1 O15118 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSPO P30536 1/20 0.44
HSP90AA1 P07900 2/20 0.43
EGLN1 Q9GZT9 2/20 0.42
TSHR P16473 1/20 0.41
GAA P10253 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
SCHEMBL13144980 0.85 HSP90AA1 (0.63) HPGDALDH1A1MAPTLMNADHFR
SCHEMBL13144982 0.85 HSP90AA1 (0.46) HPGDALDH1A1MAPTLMNADHFR
SCHEMBL3099210 0.84 ADORA3 (0.54) HPGDALDH1A1MAPTLMNATSPO
SCHEMBL3088463 0.83 HSP90AA1 (0.53) HPGDALDH1A1MAPTLMNADHFR
SCHEMBL13144890 0.83 HSP90AA1 (0.50) HPGDALDH1A1LMNADHFRHSP90AA1
SCHEMBL3087968 0.82 HSP90AA1 (0.47) HPGDALDH1A1MAPTLMNADHFR
SCHEMBL3092345 0.82 ALDH1A1 (0.41) HPGDALDH1A1MAPTLMNADHFR
SCHEMBL13144829 0.82 ALDH1A1 (0.41) HPGDALDH1A1LMNADHFRNPC1
SCHEMBL3088521 0.82 HSP90AB1 (0.45) HPGDALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL16628707 0.80 TLR8 (0.39) HPGDALDH1A1LMNADHFRHSP90AA1

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 4 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
EP-2164833-B1 Quinazolinamide derivatives useful for the treatment of tumour diseases MERCK PATENT GMBH (DE) 2015-04-15 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-20100234324-A1 Quinazolinamide derivatives HSP90AB1, HSP90AA1, HSP90AB2P HPGD 574/4885ALDH1A1 1776/4885MAPT 1744/4885

“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.