SCHEMBL578698

SCHEMBL578698

NC(=O)c1ccc2cncc(-c3ccc(OC(F)F)cc3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.51
SLC22A12 Q96S37 5/20 0.48
CCNC P24863 4/20 0.43
CDK8 P49336 4/20 0.43
DYRK1A Q13627 3/20 0.42
MAP4K4 O95819 2/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
WNT1 P04628 2/20 0.41
CLK2 P49760 1/20 0.41
CLK3 P49761 1/20 0.41
AR P10275 1/20 0.41
PRKCZ Q05513 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
GSK3B P49841 1/20 0.39
ALOX15 P16050 1/20 0.39
GFER P55789 1/20 0.39
ADAM17 P78536 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
SCHEMBL578503 0.88 PARP10 (0.54) SLC22A12CCNCCDK8MAP4K4CYP11B1
SCHEMBL578333 0.84 MAP4K4 (0.61) SLC22A12CCNCCDK8MAP4K4CYP11B1
SCHEMBL10138300 0.83 SLC22A12 (0.48) SLC22A12CCNCCDK8MAP4K4CYP11B1
SCHEMBL578353 0.82 CHEK2 (0.55) GRM2SLC22A12CCNCCDK8DYRK1A
SCHEMBL10138341 0.82 PARP10 (0.52) SLC22A12CYP11B1CYP11B2MKNK1MKNK2
SCHEMBL578534 0.82 CHEK2 (0.54) SLC22A12CCNCCDK8MAP4K4CYP11B1
SCHEMBL578479 0.81 SLC22A12 (0.55) SLC22A12CCNCCDK8DYRK1AMAP4K4
SCHEMBL578341 0.80 MAP4K4 (0.58) GRM2SLC22A12CCNCCDK8MAP4K4
SCHEMBL10138319 0.80 SLC22A12 (0.54) GRM2SLC22A12CCNCCDK8AR
SCHEMBL10138336 0.80 SLC22A12 (0.54) SLC22A12CCNCCDK8MAP4K4AR

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 GRM2 1396/4885SLC22A12 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.