SCHEMBL10138338

SCHEMBL10138338

CN(C)C(=O)COc1ccc(-c2cncc3ccc(C(N)=O)cc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 5/20 0.47
CCNC P24863 7/20 0.46
CDK8 P49336 7/20 0.46
KEAP1 Q14145 2/20 0.43
NFE2L2 Q16236 2/20 0.43
RAB9A P51151 3/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 1/20 0.42
FLT3 P36888 1/20 0.41
MYLK Q15746 1/20 0.41
AURKB Q96GD4 1/20 0.41
CILK1 Q9UPZ9 1/20 0.41

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
SCHEMBL578534 0.84 CHEK2 (0.54) SLC22A12CCNCCDK8GAACHEK2
SCHEMBL10138327 0.84 CCNC (0.53) SLC22A12CCNCCDK8FLT3MYLK
SCHEMBL578371 0.84 SLC22A12 (0.46) SLC22A12CCNCCDK8RAB9AMAP4K4
SCHEMBL10138305 0.83 CHEK2 (0.60) SLC22A12CCNCCDK8CHEK2FYN
SCHEMBL578333 0.82 MAP4K4 (0.61) SLC22A12CCNCCDK8CHEK2MAP4K4
SCHEMBL10138316 0.82 SLC22A12 (0.51) SLC22A12CCNCCDK8KDM4EALDH1A1
SCHEMBL10138331 0.82 CCNC (0.51) SLC22A12CCNCCDK8FLT3MYLK
SCHEMBL10138549 0.81 SLC22A12 (0.58) SLC22A12CCNCCDK8CHEK2FYN
SCHEMBL10138583 0.81 TDP1 (0.47) SLC22A12RAB9ANPC1HSD17B10CHEK2
SCHEMBL10138550 0.81 MAPT (0.51) SLC22A12CCNCCDK8RAB9ACHEK2

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 SLC22A12 1300/4885CCNC 1592/4885CDK8 2959/4885

“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.