SCHEMBL578534

SCHEMBL578534

NC(=O)c1ccc2cncc(-c3ccc(OCCO)cc3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 4/20 0.54
SLC22A12 Q96S37 6/20 0.52
CCNC P24863 2/20 0.43
CDK8 P49336 2/20 0.43
MAP4K4 O95819 1/20 0.43
FYN P06241 1/20 0.43
PRKCZ Q05513 2/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
PARP10 Q53GL7 1/20 0.43
GAA P10253 1/20 0.42
AR P10275 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
SCHEMBL578814 0.94 CHEK2 (0.49) CHEK2SLC22A12CCNCCDK8MAP4K4
SCHEMBL10138549 0.92 SLC22A12 (0.58) CHEK2SLC22A12CCNCCDK8MAP4K4
SCHEMBL10138305 0.91 CHEK2 (0.60) CHEK2SLC22A12CCNCCDK8MAP4K4
SCHEMBL10138550 0.89 MAPT (0.51) CHEK2SLC22A12CCNCCDK8MAP4K4
SCHEMBL10138583 0.87 TDP1 (0.47) CHEK2SLC22A12
SCHEMBL10138332 0.85 PRKCZ (0.59) CHEK2SLC22A12CCNCCDK8MAP4K4
SCHEMBL10138355 0.85 SLC22A12 (0.47) CHEK2SLC22A12CCNCCDK8MAP4K4
SCHEMBL578333 0.85 MAP4K4 (0.61) CHEK2SLC22A12CCNCCDK8MAP4K4
SCHEMBL10138361 0.84 PRKCZ (0.43) CHEK2SLC22A12CCNCCDK8MAP4K4
SCHEMBL10138338 0.84 SLC22A12 (0.47) CHEK2SLC22A12CCNCCDK8MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2418203-B1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP DAIICHI SANKYO CO LTD (JP) 2013-12-11 EP claimed
US-8410273-B2 Cyclic compound having substituted phenyl group DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-04-02 US claimed
US-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-16 US claimed
EP-2418203-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP Daiichi Sankyo Company, Limited (JP) 2012-02-15 EP claimed
EP-2418203-B1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP DAIICHI SANKYO CO LTD (JP) 2013-12-11 EP disclosed
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-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
US-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-16 US disclosed
EP-2418203-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP Daiichi Sankyo Company, Limited (JP) 2012-02-15 EP 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 CHEK2 3070/4885SLC22A12 1300/4885CCNC 1592/4885

“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.