SCHEMBL6324477

SCHEMBL6324477

N#Cc1cccc(C(Cc2ccccc2)Nc2ccnc3cc(C(=O)N4CCCC4)ccc23)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HAT1 O14929 1/20 0.42
EP300 Q09472 1/20 0.42
CDK8 P49336 10/20 0.42
CCNC P24863 9/20 0.42
CDK19 Q9BWU1 3/20 0.42
MAP4K2 Q12851 1/20 0.41
HASPIN Q8TF76 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
ADORA2A P29274 5/20 0.41
CDK1 P06493 1/20 0.40
HPGD P15428 1/20 0.39

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
SCHEMBL6331457 0.86 ADORA2A (0.44) CDK8CCNCCDK19MAP4K2HASPIN
SCHEMBL6331770 0.85 F10 (0.47) HPGD
SCHEMBL6324855 0.85 CDK8 (0.41) HAT1EP300CDK8CCNCCDK19
SCHEMBL8312535 0.83 CAPN1 (0.38) HPGD
SCHEMBL6331418 0.81 CDK8 (0.50) CDK8CCNCCDK19MAP4K2HASPIN
SCHEMBL6324439 0.77 HPGD (0.39) ALDH1A1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL8312721 0.77 PLA2G7 (0.39) ALDH1A1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL6331414 0.77 HPGD (0.45) HAT1EP300CDK8CCNCCDK19
Hydrochloric Acid SCHEMBL6325008 0.76 F10 (0.40) ALDH1A1CYP1A2CYP3A4CYP2C9MAPK1
Hydrochloric Acid SCHEMBL6323304 0.75 F10 (0.46) HPGD

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-20050107409-A1 Aromatic bicyclic compounds, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-05-19 US disclosed
WO-2004080970-A1 NOVEL BICYCLIC AROMATIC COMPOUNDS, THE PRODUCTION AND USE THEREOF IN THE FORM OF DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-09-23 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-20050107409-A1 Aromatic bicyclic compounds, preparation thereof and their use as pharmaceutical compositions F12, F2, F11 HAT1 258/4885EP300 1454/4885CDK8 765/4885

“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.