SCHEMBL13653261

SCHEMBL13653261

CN(C)CCOc1cc(Cl)c(C(F)(F)F)cc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 2/20 0.47
MAPT P10636 2/20 0.41
KDM4E B2RXH2 3/20 0.40
ROCK2 O75116 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
RAF1 P04049 1/20 0.39
HSP90AA1 P07900 2/20 0.39
THRB P10828 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSP90AB1 P08238 1/20 0.39
G6PD P11413 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ATR Q13535 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
SCHEMBL168956 0.84 KDM4E (0.49) UTS2RMAPTKDM4EGAAMAPK1
SCHEMBL13653263 0.81 PDK2 (0.42) UTS2RKDM4EGAAMAPK1RAF1
SCHEMBL5444261 0.79 CD44 (0.46) MAPTKDM4EROCK2GAAMAPK1
SCHEMBL13648164 0.78 KDM4E (0.49) UTS2RMAPTKDM4EGAAMAPK1
SCHEMBL617667 0.75 GAA (0.55) MAPTGAAMEN1ALDH1A1KMT2A
SCHEMBL22339329 0.74 UTS2R (0.39) UTS2RKDM4EGAAMAPK1RAF1
SCHEMBL5120188 0.74 THRA (0.48) UTS2RMAPTKDM4EROCK2GAA
SCHEMBL12398619 0.74 KDM4E (0.54) MAPTKDM4EROCK2GAAMAPK1
SCHEMBL4371624 0.74 UTS2R (0.47) UTS2RKDM4EROCK2GAAMAPK1
SCHEMBL13602322 0.72 UTS2R (0.43) UTS2RMAPTKDM4EGAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MERCK PATENT GMBH (DE) 2009-10-08 US disclosed
US-20070191423-A1 Isoquinoline derivatives MERCK PATENT GMBH (DE) 2007-08-16 US disclosed
US-20070191423-A1 Isoquinoline derivatives MERCK PATENT GMBH (DE) 2007-08-16 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 (2 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-20070191423-A1 Isoquinoline derivatives ABL1, MAP3K1, MAP3K2 UTS2R 3652/4885MAPT 1370/4885KDM4E 1691/4885
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MAP3K1, MAP3K6, MAP3K2 UTS2R 3596/4885MAPT 2963/4885KDM4E 1349/4885

“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.