SCHEMBL6283028

SCHEMBL6283028

COc1ccc(-c2nc3cnncc3[nH]2)cc1NC(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.49
AMY1A P0DUB6 3/20 0.46
PARP1 P09874 2/20 0.46
ALOX5 P09917 1/20 0.46
EPHX2 P34913 1/20 0.46
HPSE Q9Y251 2/20 0.45
MAPT P10636 4/20 0.45
VCP P55072 1/20 0.45
KMT2A Q03164 4/20 0.44
CHEK2 O96017 3/20 0.44
MEN1 O00255 3/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
GUSB P08236 1/20 0.44
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL6282536 0.87 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDAMY1AALOX5
SCHEMBL6285957 0.83 PARP1 (0.57) ALDH1A1KDM4EHPGDAMY1APARP1
SCHEMBL10739927 0.82 KDM4E (0.69) ALDH1A1KDM4EHPGDAMY1APARP1
SCHEMBL6284223 0.81 VCP (0.44) ALDH1A1KDM4EHPGDAMY1APARP1
SCHEMBL6286384 0.81 CDK4 (0.45) ALDH1A1KDM4EHPGDAMY1APARP1
SCHEMBL6711333 0.80 AMY1A (0.43) ALDH1A1KDM4EHPGDAMY1AHPSE
SCHEMBL6286122 0.79 CDK4 (0.49) ALDH1A1KDM4EHPGDAMY1AHPSE
SCHEMBL6711323 0.79 KMT2A (0.48) ALDH1A1KDM4EHPGDAMY1AMAPT
SCHEMBL6281866 0.78 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDAMY1APARP1
SCHEMBL6286020 0.76 VCP (0.48) ALDH1A1KDM4EAMY1APARP1VCP

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-20040014759-A1 6,5-Fused bicyclic heterocycles PICARD JOSEPH ARMAND (US) 2004-01-22 US claimed
US-6943174-B2 6,5-Fused bicyclic heterocycles WARNER-LAMBERT COMPANY (US) 2005-09-13 US disclosed
US-20040014759-A1 6,5-Fused bicyclic heterocycles PICARD JOSEPH ARMAND (US) 2004-01-22 US disclosed
EP-1294718-A2 6,5-FUSED BICYCLIC HETEROCYCLES WARNER-LAMBERT COMPANY LLC (US) 2003-03-26 EP disclosed
WO-2001096336-A2 6,5-FUSED BICYCLIC HETEROCYCLES WARNER-LAMBERT COMPANY (US) 2001-12-20 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-20040014759-A1 6,5-Fused bicyclic heterocycles ALOX15, ALOX5, ALOX15B ALDH1A1 522/4885KDM4E 2221/4885HPGD 212/4885

“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.