SCHEMBL5578064

SCHEMBL5578064

C=CCc1nc(-c2nn(Cc3ccc(OC)cc3)cc2NC(=O)c2c(F)cccc2F)[nH]c1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.39
KMT2A Q03164 2/20 0.38
ADORA2B P29275 1/20 0.37
KLKB1 P03952 3/20 0.36
BRPF1 P55201 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
CACNA1G O43497 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNA1I Q9P0X4 1/20 0.35
MAPT P10636 5/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
GFER P55789 1/20 0.35
TP53 P04637 2/20 0.34

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
SCHEMBL5578357 0.83 MAPT (0.39) ADORA3KMT2AKLKB1BRPF1MAPT
SCHEMBL5578218 0.81 AURKA (0.44) KDM4EALDH1A1TP53LMNA
SCHEMBL5578217 0.79 MAPT (0.36) ADORA3KMT2ABRPF1MAPTKDM4E
SCHEMBL5578095 0.78 MAPT (0.40) KMT2AMAPTALDH1A1MEN1TP53
SCHEMBL5578233 0.78 KMT2A (0.39) ADORA3KMT2ABRPF1CACNA1GCACNA1H
SCHEMBL5578142 0.77 BRPF1 (0.47) ADORA3KLKB1BRPF1CACNA1GCACNA1H
SCHEMBL5578304 0.74 BRPF1 (0.46) ADORA3KMT2AKLKB1BRPF1CACNA1G
SCHEMBL5578103 0.74 BRPF1 (0.46) ADORA3KMT2ABRPF1CACNA1GCACNA1H
SCHEMBL5578146 0.74 LMNA (0.35) KMT2ABRPF1MAPTKDM4EALDH1A1
SCHEMBL14511672 0.72 BRPF1 (0.46) ADORA3KMT2ABRPF1CACNA1GCACNA1H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070105900-A1 Pharmaceutical compounds ATEX THERAPEUTICS, LIMITED (GB) 2007-05-10 US disclosed
US-20070105900-A1 Pharmaceutical compounds ATEX THERAPEUTICS, LIMITED (GB) 2007-05-10 US disclosed
US-20070105900-A1 Pharmaceutical compounds ATEX THERAPEUTICS, LIMITED (GB) 2007-05-10 US disclosed
EP-1648449-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2006-04-26 EP disclosed
WO-2005002576-A2 IMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 WO 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-20070105900-A1 Pharmaceutical compounds AURKA, AURKC, CDK1 ADORA3 1514/4885KMT2A 1706/4885ADORA2B 2283/4885

“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.