SCHEMBL10138355

SCHEMBL10138355

NC(=O)c1ccc2cncc(-c3ccc(OCC(O)CO)cc3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 7/20 0.47
CCNC P24863 2/20 0.42
CDK8 P49336 2/20 0.42
CHEK2 O96017 3/20 0.40
FYN P06241 1/20 0.40
PRKCZ Q05513 2/20 0.39
MAP4K4 O95819 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH2 P05091 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39

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 0.85 CHEK2 (0.54) SLC22A12CCNCCDK8CHEK2FYN
SCHEMBL10138549 0.82 SLC22A12 (0.58) SLC22A12CCNCCDK8CHEK2FYN
SCHEMBL10138305 0.81 CHEK2 (0.60) SLC22A12CCNCCDK8CHEK2FYN
SCHEMBL10138332 0.80 PRKCZ (0.59) SLC22A12CCNCCDK8CHEK2PRKCZ
SCHEMBL578814 0.80 CHEK2 (0.49) SLC22A12CCNCCDK8CHEK2FYN
SCHEMBL578333 0.80 MAP4K4 (0.61) SLC22A12CCNCCDK8CHEK2MAP4K4
SCHEMBL578698 0.80 GRM2 (0.51) SLC22A12CCNCCDK8PRKCZMAP4K4
SCHEMBL578503 0.80 PARP10 (0.54) SLC22A12CCNCCDK8MAP4K4CYP11B1
SCHEMBL10138550 0.80 MAPT (0.51) SLC22A12CCNCCDK8CHEK2FYN
SCHEMBL10138338 0.80 SLC22A12 (0.47) SLC22A12CCNCCDK8CHEK2FYN

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.