SCHEMBL4264977

SCHEMBL4264977

CCOc1ccc(C(=O)CCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C(C)(C)C)cc2)cc1OCC

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 8/20 0.49
NTRK2 Q16620 6/20 0.49
HPGD P15428 1/20 0.48
JAK2 O60674 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
RECQL P46063 1/20 0.46
CDK8 P49336 2/20 0.45
NFE2 Q16621 2/20 0.45
MAPK14 Q16539 1/20 0.44
GAA P10253 1/20 0.44
CCNC P24863 1/20 0.43

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
SCHEMBL4260929 0.76 RXFP1 (0.52) MEN1KMT2AGAA
SCHEMBL12216015 0.69 CDK8 (0.69) HPGDJAK2CDK8MAPK14CCNC
SCHEMBL1013690 0.68 MAPK13 (0.59) JAK2RECQLCDK8MAPK14GAA
SCHEMBL4226618 0.68 CDK8 (0.63) NTRK1NTRK2HPGDJAK2CDK8
SCHEMBL1284027 0.68 JAK2 (0.81) JAK2MEN1KMT2ACDK8MAPK14
SCHEMBL20627057 0.67 NTRK1 (0.53) NTRK1NTRK2HPGDJAK2CDK8
SCHEMBL3920266 0.66 KMT2A (0.57) HPGDMEN1KMT2A
SCHEMBL1600309 0.66 CDK8 (0.82) JAK2CDK8MAPK14GAACCNC
SCHEMBL13852780 0.66 MAPK14 (0.82) MAPK14
SCHEMBL4264820 0.66 TSHR (0.58) HPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
US-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
US-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
EP-1845081-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-17 EP 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-20090048258-A1 Amide Compound DLAT, DGAT1, DGAT2 NTRK1 3857/4885NTRK2 2513/4885HPGD 1713/4885

“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.