SCHEMBL14730866

SCHEMBL14730866

ICc1ccnc2ccc(I)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.46
CDK8 P49336 1/20 0.46
PARP1 P09874 1/20 0.42
GAK O14976 2/20 0.40
RIPK2 O43353 1/20 0.40
COQ8A Q8NI60 1/20 0.40
NLK Q9UBE8 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
MTNR1A P48039 3/20 0.34
MTNR1B P49286 3/20 0.34
HTR1A P08908 2/20 0.33
ADRA1D P25100 2/20 0.33
ADRA1A P35348 2/20 0.33
ADRA1B P35368 2/20 0.33
NR4A2 P43354 1/20 0.33
ROCK2 O75116 1/20 0.33
CYP19A1 P11511 2/20 0.33
HTR6 P50406 1/20 0.32

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
SCHEMBL17059459 0.84 PARP1 (0.45) CCNCCDK8PARP1GAKRIPK2
SCHEMBL17059461 0.76 PARP1 (0.47) CCNCCDK8PARP1GAKRIPK2
SCHEMBL17266358 0.76 LOXL2 (0.64) LOXL2KDM4EMAPTHTR1AADRA1D
SCHEMBL14730905 0.74 RIPK2 (0.47) GAKRIPK2MTNR1AMTNR1B
SCHEMBL18970831 0.73 PARP1 (0.44) CCNCCDK8PARP1GAKRIPK2
SCHEMBL29915158 0.73 DYRK1B (0.47) CCNCCDK8PARP1GAKRIPK2
SCHEMBL599869 0.73 DYRK1B (0.47) CCNCCDK8PARP1GAKRIPK2
SCHEMBL31355748 0.73 SMN1; SMN2 (0.51) CCNCCDK8PARP1GAKRIPK2
SCHEMBL20733040 0.73 PARP1 (0.44) CCNCCDK8PARP1GAKRIPK2
SCHEMBL599975 0.73 PARP1 (0.44) CCNCCDK8PARP1GAKRIPK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130053375-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXO GROUP LIMITED 2013-02-28 US 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-20130053375-A1 AMINO-QUINOLINES AS KINASE INHIBITORS ABL1, MAP3K2, MAP4K2 CCNC 562/4885CDK8 104/4885PARP1 931/4885

“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.