SCHEMBL6282773

SCHEMBL6282773

COc1ccc(-c2nc3ccncc3[nH]2)cc1N

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.77
HPGD P15428 5/20 0.77
KDM4E B2RXH2 4/20 0.77
PDE5A O76074 3/20 0.57
PKM P14618 6/20 0.53
NPC1 O15118 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
RAB9A P51151 4/20 0.53
AURKA O14965 1/20 0.53
PDE3B Q13370 1/20 0.52
PDE3A Q14432 1/20 0.52
ALOX5 P09917 1/20 0.51
EPHX2 P34913 1/20 0.51
CDK4 P11802 1/20 0.48
CCNA2 P20248 1/20 0.48
CCND1 P24385 1/20 0.48
CDK2 P24941 1/20 0.48
CCND3 P30281 1/20 0.48
NPY5R Q15761 1/20 0.47
HPSE Q9Y251 2/20 0.47

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
SCHEMBL6281866 0.84 ALDH1A1 (0.54) ALDH1A1HPGDKDM4EPKMNPC1
SCHEMBL2349584 0.83 SMN1; SMN2 (0.68) ALDH1A1HPGDKDM4EPKMNPC1
SCHEMBL6287143 0.82 ALDH1A1 (0.72) ALDH1A1HPGDKDM4EPDE5APKM
SCHEMBL6282536 0.79 ALDH1A1 (0.68) ALDH1A1HPGDKDM4EPDE5APKM
SCHEMBL6282533 0.78 KDM4E (0.47) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL6502402 0.78 RHEB (0.55) ALDH1A1HPGDKDM4EPKMNPC1
SCHEMBL7271604 0.77 KDM4E (0.78) ALDH1A1HPGDKDM4EPDE5ASMN1; SMN2
SCHEMBL7389940 0.77 ALDH1A1 (0.71) ALDH1A1HPGDKDM4EPDE5APKM
SCHEMBL24140791 0.77 ALDH1A1 (0.69) ALDH1A1HPGDKDM4EPDE5APKM
SCHEMBL6283098 0.77 KDM4E (0.46) ALDH1A1HPGDKDM4EPKMNPC1

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 7 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
EP-1294718-A2 6,5-FUSED BICYCLIC HETEROCYCLES WARNER-LAMBERT COMPANY LLC (US) 2003-03-26 EP claimed
WO-2001096336-A2 6,5-FUSED BICYCLIC HETEROCYCLES WARNER-LAMBERT COMPANY (US) 2001-12-20 WO 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 522/4885HPGD 212/4885KDM4E 2221/4885

“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.