SCHEMBL578353

SCHEMBL578353

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 4/20 0.55
MKNK2 Q9HBH9 2/20 0.55
MAP4K4 O95819 2/20 0.55
CDC7 O00311 1/20 0.55
PLK4 O00444 1/20 0.55
DAPK3 O43293 1/20 0.55
PRKD3 O94806 1/20 0.55
CDK1 P06493 1/20 0.55
FES P07332 1/20 0.55
ROS1 P08922 1/20 0.55
PIM1 P11309 1/20 0.55
FGFR1 P11362 1/20 0.55
FER P16591 1/20 0.55
PRKACA P17612 1/20 0.55
FGFR3 P22607 1/20 0.55
CDK2 P24941 1/20 0.55
MAPK1 P28482 1/20 0.55
KDR P35968 1/20 0.55
FLT3 P36888 1/20 0.55
FRK P42685 1/20 0.55

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
SCHEMBL578479 0.87 SLC22A12 (0.55) CHEK2MKNK2MAP4K4CDC7PLK4
SCHEMBL10138572 0.86 SLC22A12 (0.49) CHEK2MKNK2MAP4K4CDC7PLK4
SCHEMBL10138336 0.86 SLC22A12 (0.54) MKNK2MAP4K4SLC22A12CCNCCDK8
SCHEMBL578341 0.86 MAP4K4 (0.58) CHEK2MKNK2MAP4K4CSNK2A1HIPK2
SCHEMBL10138319 0.86 SLC22A12 (0.54) CHEK2MKNK2MAPK1SLC22A12CCNC
SCHEMBL10138297 0.85 SLC22A12 (0.51) CHEK2MKNK2MAP4K4CDC7PLK4
SCHEMBL10138309 0.85 SLC22A12 (0.53) CHEK2MKNK2MAP4K4CDC7PLK4
Hydrochloric Acid SCHEMBL578559 0.85 MAP4K4 (0.57) CHEK2MKNK2MAP4K4CSNK2A1HIPK2
SCHEMBL578771 0.84 PLK4 (0.57) CHEK2MKNK2MAP4K4CDC7PLK4
SCHEMBL10138576 0.83 SLC22A12 (0.46) CHEK2MKNK2MAP4K4CDC7PLK4

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
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
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 3070/4885MKNK2 494/4885MAP4K4 1563/4885

“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.