SCHEMBL5064402

SCHEMBL5064402

COc1ccccc1-c1nnc(-c2cc(C(F)(F)F)nn2C2CCN(CCN(C)C(=O)OC(C)(C)C)CC2)o1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.44
IRAK4 Q9NWZ3 3/20 0.38
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
PTGS2 P35354 1/20 0.36
TP53 P04637 5/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ABCB1 P08183 1/20 0.34

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
SCHEMBL5067583 0.84 CARM1 (0.47) CARM1HPGDTSHRTP53ALDH1A1
SCHEMBL5069695 0.82 CARM1 (0.45) CARM1HPGDPTGS2TP53KDM4E
SCHEMBL14012647 0.78 CARM1 (0.46) CARM1IRAK4
SCHEMBL5067032 0.78 PLAT (0.47) CARM1IRAK4HPGDTSHRPTGS2
SCHEMBL5066931 0.76 IRAK4 (0.36) IRAK4KDM4EALDH1A1
SCHEMBL14012697 0.75 CARM1 (0.51) CARM1PTGS2CTSSCTSKSMN1; SMN2
SCHEMBL5066984 0.75 CARM1 (0.61) CARM1PTGS2
SCHEMBL5066912 0.74 CARM1 (0.45) CARM1IRAK4
SCHEMBL5066914 0.74 CARM1 (0.45) CARM1IRAK4
SCHEMBL5067006 0.74 IRAK4 (0.37) IRAK4SIGMAR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338437-B2 Methyl transferase inhibitors; antiproliferative agents; antiinflammatory agents; immunotherapy; infection therapy METHYLGENE INC. (CA) 2012-12-25 US disclosed
US-8338437-B2 Methyl transferase inhibitors; antiproliferative agents; antiinflammatory agents; immunotherapy; infection therapy METHYLGENE INC. (CA) 2012-12-25 US disclosed
US-8338437-B2 Methyl transferase inhibitors; antiproliferative agents; antiinflammatory agents; immunotherapy; infection therapy METHYLGENE INC. (CA) 2012-12-25 US disclosed
US-20080280925-A1 Amines as Small Molecule Inhibitors METHYLGENE INC. 2008-11-13 US disclosed
US-20080280925-A1 Amines as Small Molecule Inhibitors METHYLGENE INC. 2008-11-13 US disclosed
US-20080280925-A1 Amines as Small Molecule Inhibitors METHYLGENE INC. 2008-11-13 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-20080280925-A1 Amines as Small Molecule Inhibitors CARM1, PRMT1, PRMT3 CARM1 1/4885IRAK4 4200/4885HPGD 2834/4885

“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.