SCHEMBL10138549

SCHEMBL10138549

NC(=O)c1ccc2cncc(-c3ccc(OCCOc4ccc(C(=O)O)cc4)cc3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 6/20 0.58
CHEK2 O96017 3/20 0.47
PARP10 Q53GL7 1/20 0.46
PKM P14618 1/20 0.45
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
RARB P10826 4/20 0.43
MAP4K4 O95819 2/20 0.41
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
FYN P06241 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 0.92 CHEK2 (0.54) SLC22A12CHEK2PARP10MAP4K4CCNC
SCHEMBL10138305 0.90 CHEK2 (0.60) SLC22A12CHEK2PARP10MKNK1MKNK2
SCHEMBL578814 0.89 CHEK2 (0.49) SLC22A12CHEK2PARP10RARBMAP4K4
SCHEMBL10138550 0.88 MAPT (0.51) SLC22A12CHEK2MAP4K4CCNCCDK8
SCHEMBL10138583 0.86 TDP1 (0.47) SLC22A12CHEK2
SCHEMBL10138361 0.84 PRKCZ (0.43) SLC22A12CHEK2PARP10MAP4K4CCNC
SCHEMBL10138341 0.82 PARP10 (0.52) SLC22A12CHEK2PARP10MKNK1MKNK2
SCHEMBL10138332 0.82 PRKCZ (0.59) SLC22A12CHEK2PARP10MAP4K4CCNC
SCHEMBL10138355 0.82 SLC22A12 (0.47) SLC22A12CHEK2MAP4K4CCNCCDK8
SCHEMBL578333 0.82 MAP4K4 (0.61) SLC22A12CHEK2PARP10MKNK1MKNK2

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 1300/4885CHEK2 3070/4885PARP10 2347/4885

“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.