SCHEMBL3213161

SCHEMBL3213161

CCOC(=O)c1cccc(-c2cccc3nc(C(O)c4cccc(C(F)(F)F)c4)cn23)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
SYK P43405 1/20 0.41
KDM4E B2RXH2 3/20 0.40
GRM5 P41594 1/20 0.40
BRAF P15056 2/20 0.40
DYRK3 O43781 1/20 0.39
CCNT1 O60563 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CDK9 P50750 1/20 0.39
CDK5 Q00535 1/20 0.39
DYRK1A Q13627 1/20 0.39
CDK5R1 Q15078 1/20 0.39
DYRK2 Q92630 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
XPO1 O14980 1/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 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
SCHEMBL3217537 0.83 GPR52 (0.49) ALDH1A1
SCHEMBL1852034 0.80 MAPT (0.43) MEN1MAPTKMT2ASYKKDM4E
SCHEMBL3208716 0.80 RAD52 (0.41) MAPTALDH1A1
SCHEMBL1855854 0.79 GPR52 (0.45)
SCHEMBL1852801 0.76 GAA (0.46) DYRK3CCNT1CCNA2CDK2CDK9
SCHEMBL1853280 0.75 DYRK3 (0.48) DYRK3CCNT1CCNA2CDK2CDK9
SCHEMBL1852570 0.72 PNMT (0.44) KDM4EALDH1A1
SCHEMBL3204669 0.71 GPR52 (0.49) MEN1MAPTKMT2ASYKKDM4E
SCHEMBL30786693 0.70 CES2 (0.61) MEN1MAPTKMT2AALDH1A1HPGD
SCHEMBL1994068 0.70 CES2 (0.61) MEN1MAPTKMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 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-20100041891-A1 AMIDE COMPOUND GPR52, GPR132, NR5A2 MEN1 4760/4885MAPT 4174/4885KMT2A 941/4885

“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.