SCHEMBL16212433

SCHEMBL16212433

O=C(NCC1CC1)c1ccc2cncc(-c3ccc(Cl)cc3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.52
CCNC P24863 2/20 0.51
CDK8 P49336 2/20 0.51
DYRK1A Q13627 1/20 0.47
HSPB1 P04792 1/20 0.47
CYP2C9 P11712 1/20 0.47
MAPK11 Q15759 1/20 0.47
SLC22A12 Q96S37 1/20 0.45

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
SCHEMBL10138555 0.84 CCNC (0.53) MAPK14CCNCCDK8SLC22A12
SCHEMBL16432439 0.84 CNR1 (0.47) MAPK14DYRK1A
SCHEMBL16211915 0.83 CCNC (0.70) MAPK14CCNCCDK8SLC22A12
SCHEMBL16212201 0.81 CCNC (0.47) CCNCCDK8SLC22A12
SCHEMBL16222216 0.81 CCNC (0.50) CCNCCDK8SLC22A12
SCHEMBL16211976 0.80 SCN2A (0.64) CCNCCDK8DYRK1ASLC22A12
SCHEMBL10138554 0.80 CCNC (0.68) CCNCCDK8CYP2C9SLC22A12
SCHEMBL18731320 0.80 CCNC (0.48) CCNCCDK8SLC22A12
SCHEMBL16211923 0.80 CCNC (0.46) CCNCCDK8SLC22A12
SCHEMBL18731268 0.80 CCNC (0.48) CCNCCDK8SLC22A12

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 16 patents. 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
WO-2014177596-A1 NEUROGENESIS-STIMULATING ISOQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-11-06 WO 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
EP-2991635-A1 NEUROGENESIS-STIMULATING ISOQUINOLINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2016-03-09 EP disclosed
US-20160046583-A1 ISOQUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-02-18 US disclosed
US-20160046583-A1 ISOQUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-02-18 US disclosed
US-20160046583-A1 ISOQUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-02-18 US disclosed
WO-2014177596-A1 NEUROGENESIS-STIMULATING ISOQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-11-06 WO disclosed
WO-2014177596-A1 NEUROGENESIS-STIMULATING ISOQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-11-06 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-20160046583-A1 ISOQUINOLINE DERIVATIVES CDR2, DRD2, HCRTR1 MAPK14 2643/4885CCNC 945/4885CDK8 3480/4885

“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.