SCHEMBL578341

SCHEMBL578341

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

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 6/20 0.58
SLC22A12 Q96S37 2/20 0.54
MKNK1 Q9BUB5 2/20 0.51
MKNK2 Q9HBH9 2/20 0.51
CSNK2A2 P19784 1/20 0.50
CSNK2B P67870 1/20 0.50
CCNC P24863 3/20 0.47
CDK8 P49336 3/20 0.47
CHEK2 O96017 3/20 0.46
AR P10275 1/20 0.43
CSNK2A1 P68400 1/20 0.43
HIPK2 Q9H2X6 1/20 0.43
GRM2 Q14416 1/20 0.42

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
Hydrochloric Acid SCHEMBL578559 0.99 MAP4K4 (0.57) MAP4K4SLC22A12MKNK1MKNK2CSNK2A2
SCHEMBL16211789 0.88 SLC22A12 (0.50) MAP4K4SLC22A12MKNK1MKNK2CSNK2A2
SCHEMBL16211927 0.87 SLC22A12 (0.70) MAP4K4SLC22A12CSNK2A2CSNK2BCCNC
SCHEMBL578479 0.87 SLC22A12 (0.55) MAP4K4SLC22A12MKNK1MKNK2CCNC
SCHEMBL10138319 0.86 SLC22A12 (0.54) SLC22A12MKNK1MKNK2CCNCCDK8
SCHEMBL10138336 0.86 SLC22A12 (0.54) MAP4K4SLC22A12MKNK1MKNK2CCNC
SCHEMBL578353 0.86 CHEK2 (0.55) MAP4K4SLC22A12MKNK1MKNK2CCNC
SCHEMBL10138576 0.86 SLC22A12 (0.46) MAP4K4SLC22A12MKNK1MKNK2CSNK2A2
SCHEMBL10138309 0.85 SLC22A12 (0.53) MAP4K4SLC22A12MKNK1MKNK2CCNC
SCHEMBL16212390 0.84 MAP4K4 (0.46) MAP4K4SLC22A12MKNK1MKNK2CSNK2A2

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2991635-B1 NEUROGENESIS-STIMULATING ISOQUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-04-12 EP claimed
US-9586903-B2 Isoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2017-03-07 US claimed
EP-2991635-A1 NEUROGENESIS-STIMULATING ISOQUINOLINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2016-03-09 EP claimed
US-20160046583-A1 ISOQUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-02-18 US claimed
CN-105163727-A Neurogenesis-stimulating isoquinoline derivatives HOFFMANN LA ROCHE 2015-12-16 CN claimed
WO-2014177596-A1 NEUROGENESIS-STIMULATING ISOQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-11-06 WO 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-2991635-B1 NEUROGENESIS-STIMULATING ISOQUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-04-12 EP disclosed
EP-2991635-B1 NEUROGENESIS-STIMULATING ISOQUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-04-12 EP disclosed
US-9586903-B2 Isoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2017-03-07 US disclosed
US-9586903-B2 Isoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2017-03-07 US disclosed
US-9586903-B2 Isoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2017-03-07 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 (2 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 MAP4K4 1563/4885SLC22A12 1300/4885MKNK1 546/4885
US-20160046583-A1 ISOQUINOLINE DERIVATIVES CDR2, DRD2, HCRTR1 MAP4K4 2189/4885SLC22A12 905/4885MKNK1 2135/4885

“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.