SCHEMBL17437263

SCHEMBL17437263

CC(=O)/C=C/c1cncc(Br)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
IAPP P10997 2/20 0.37
KDM4E B2RXH2 2/20 0.36
GLA P06280 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
BCHE P06276 1/20 0.33
HSD11B1 P28845 1/20 0.33
KMT2A Q03164 2/20 0.31
ATM Q13315 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTGS1 P23219 1/20 0.31
EIF2AK2 P19525 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31

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
SCHEMBL17437264 1.00 CCNC (0.44) CCNCCDK8MAPTLMNAIAPP
SCHEMBL30701968 0.79 CA12 (0.42) CCNCCDK8MAPTKDM4E
SCHEMBL17619233 0.69 SMN1; SMN2 (0.33) CCNCCDK8LMNAKDM4EGLA
SCHEMBL15507224 0.69 MAPT (0.38) CCNCCDK8MAPTLMNAIAPP
SCHEMBL15514496 0.69 MAPT (0.38) CCNCCDK8MAPTLMNAIAPP
SCHEMBL24244580 0.69 CCNC (0.30) CCNCCDK8
SCHEMBL20660705 0.68 NPSR1 (0.39) CCNCCDK8KDM4ECYP2C19SMN1; SMN2
SCHEMBL26708840 0.67 KMT2A (0.37) MAPTLMNAIAPPKDM4EGLA
SCHEMBL1477717 0.66
SCHEMBL30963013 0.66 HSD11B1 (0.71) MAPTLMNAIAPPKDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3169678-A1 NOVEL NAPHTHRYIDINES AND ISOQUINOLINES AND THEIR USE AS CDK8/19 INHIBITORS Merck Patent GmbH (DE) 2017-05-24 EP disclosed
US-20160016951-A1 NOVEL NAPHTHYRIDINES AND ISOQUINOLINES AND THEIR USE AS CDK8/19 INHIBITORS MERCK PATENT GMBH (DE) 2016-01-21 US disclosed
US-20160016951-A1 NOVEL NAPHTHYRIDINES AND ISOQUINOLINES AND THEIR USE AS CDK8/19 INHIBITORS MERCK PATENT GMBH (DE) 2016-01-21 US disclosed
US-20160016951-A1 NOVEL NAPHTHYRIDINES AND ISOQUINOLINES AND THEIR USE AS CDK8/19 INHIBITORS MERCK PATENT GMBH (DE) 2016-01-21 US disclosed
WO-2016009076-A1 NOVEL NAPHTHRYIDINES AND ISOQUINOLINES AND THEIR USE AS CDK8/19 INHIBITORS MERCK PATENT GMBH (DE) 2016-01-21 WO disclosed
WO-2016009076-A1 NOVEL NAPHTHRYIDINES AND ISOQUINOLINES AND THEIR USE AS CDK8/19 INHIBITORS MERCK PATENT GMBH (DE) 2016-01-21 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-20160016951-A1 NOVEL NAPHTHYRIDINES AND ISOQUINOLINES AND THEIR USE AS CDK8/19 INHIBITORS CDK8, CDK9, CDK18 CCNC 31/4885CDK8 1/4885MAPT 1684/4885

“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.