SCHEMBL5822020

SCHEMBL5822020

COc1ccc(F)cc1-c1cc2cc(C3CCN(CCN(C)C(=O)OC(C)(C)C)CC3)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 15/20 0.43
CDK9 P50750 15/20 0.43
CARM1 Q86X55 2/20 0.41
TLR9 Q9NR96 2/20 0.41
TLR7 Q9NYK1 1/20 0.41
HRH3 Q9Y5N1 1/20 0.38
PDE4B Q07343 1/20 0.38

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
SCHEMBL5818162 0.92 TLR9 (0.45) CCNT1CDK9CARM1TLR9TLR7
SCHEMBL5820172 0.88 TLR9 (0.41) CCNT1CDK9CARM1TLR9TLR7
SCHEMBL5817165 0.86 TLR9 (0.56) CCNT1CDK9CARM1TLR9TLR7
SCHEMBL5821305 0.83 PDE4B (0.53) CCNT1CDK9TLR7PDE4B
SCHEMBL5824218 0.83 HRH3 (0.43) TLR9TLR7HRH3
SCHEMBL5824277 0.80 TLR9 (0.66) CARM1TLR9TLR7
SCHEMBL5821272 0.79 HRH3 (0.40) CARM1TLR9TLR7HRH3
SCHEMBL5821888 0.75 DRD2 (0.56) CCNT1CDK9CARM1TLR9TLR7
SCHEMBL5822415 0.74 PDE4B (0.53) TLR9TLR7PDE4B
SCHEMBL5824183 0.74 CCNT1 (0.39) CCNT1CDK9

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
WO-2006113458-A1 HETEROCYCLIC INHIBITORS OF PROTEIN ARGININE METHYL TRANSFERASES BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-26 WO disclosed
US-20060235037-A1 Heterocyclic inhibitors of protein arginine methyl transferases BRISTOL-MYERS SQUIBB COMPANY 2006-10-19 US 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-20060235037-A1 Heterocyclic inhibitors of protein arginine methyl transferases PRMT1, PRMT3, PRMT8 CCNT1 263/4885CDK9 1060/4885CARM1 18/4885

“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.