SCHEMBL6283130

SCHEMBL6283130

COc1ccc(-c2nc3cccnc3[nH]2)cc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
GUSB P08236 2/20 0.46
NPC1 O15118 2/20 0.44
MAPT P10636 2/20 0.44
PKM P14618 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
CYP1A1 P04798 2/20 0.44
CYP1B1 Q16678 2/20 0.44
RIPK1 Q13546 2/20 0.43
ALOX5 P09917 1/20 0.42
EPHX2 P34913 1/20 0.42
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 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
SCHEMBL6757259 0.85 GUSB (0.46) KDM4EALDH1A1HPGDGUSBNPC1
SCHEMBL6283126 0.82 PARP1 (0.52) KDM4EALDH1A1HPGDGUSBCYP1A1
SCHEMBL6283098 0.82 KDM4E (0.46) KDM4EALDH1A1HPGDGUSBNPC1
SCHEMBL6278625 0.82 KDM4E (0.46) KDM4EALDH1A1HPGDGUSBNPC1
SCHEMBL6283101 0.82 CCNB2 (0.44) KDM4EALDH1A1HPGDCCNB2CDK1
SCHEMBL6286122 0.80 CDK4 (0.49) KDM4EALDH1A1HPGDGUSBNPC1
SCHEMBL2349584 0.80 SMN1; SMN2 (0.68) KDM4EALDH1A1HPGDGUSBNPC1
SCHEMBL7020557 0.80 PDGFRB (0.44) KDM4EALDH1A1HPGDGUSBNPC1
SCHEMBL4717804 0.80 PDGFRB (0.51) KDM4EALDH1A1HPGDGUSBNPC1
SCHEMBL22291215 0.79 AMY1A (0.54) MAPTRIPK1

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 KDM4E 2221/4885ALDH1A1 522/4885HPGD 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.