SCHEMBL10138331

SCHEMBL10138331

CN(C)C(=O)CCc1ccc(-c2cncc3ccc(C(N)=O)cc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNC P24863 10/20 0.51
CDK8 P49336 10/20 0.51
SLC22A12 Q96S37 4/20 0.48
FLT3 P36888 1/20 0.42
MYLK Q15746 1/20 0.42
AURKB Q96GD4 1/20 0.42
CILK1 Q9UPZ9 1/20 0.42
CDK11A Q9UQ88 1/20 0.42
TBK1 Q9UHD2 2/20 0.39
AR P10275 1/20 0.38
CHUK O15111 1/20 0.37
INSR P06213 1/20 0.37
MAPK8 P45983 1/20 0.37
CAMKK2 Q96RR4 1/20 0.37
MPL P40238 1/20 0.37
CHEK2 O96017 1/20 0.36

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
SCHEMBL10138327 0.89 CCNC (0.53) CCNCCDK8SLC22A12FLT3MYLK
SCHEMBL10138323 0.85 SLC22A12 (0.51) CCNCCDK8SLC22A12FLT3AURKB
SCHEMBL10138316 0.83 SLC22A12 (0.51) CCNCCDK8SLC22A12FLT3MYLK
SCHEMBL10138309 0.82 SLC22A12 (0.53) CCNCCDK8SLC22A12FLT3AURKB
SCHEMBL10138338 0.82 SLC22A12 (0.47) CCNCCDK8SLC22A12FLT3MYLK
SCHEMBL27902070 0.82 CCNC (0.60) CCNCCDK8SLC22A12FLT3MYLK
SCHEMBL10138302 0.80 SLC22A12 (0.51) CCNCCDK8SLC22A12AR
SCHEMBL10138319 0.79 SLC22A12 (0.54) CCNCCDK8SLC22A12ARCHEK2
SCHEMBL10138336 0.79 SLC22A12 (0.54) CCNCCDK8SLC22A12AR
SCHEMBL578371 0.78 SLC22A12 (0.46) CCNCCDK8SLC22A12AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410273-B2 Cyclic compound having substituted phenyl group DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-04-02 US disclosed
US-8410273-B2 Cyclic compound having substituted phenyl group DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-04-02 US disclosed
US-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-16 US disclosed
US-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-16 US disclosed
WO-2010116915-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP 第一三共株式会社 (JP) 2010-10-14 WO 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-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP BMP2, BMP4, BMP6 CCNC 1592/4885CDK8 2959/4885SLC22A12 1300/4885

“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.