SCHEMBL17437155

SCHEMBL17437155

CN(c1ccc2cncc(Cl)c2c1)S(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.44
LMNA P02545 4/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
USP2 O75604 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
PTGDR2 Q9Y5Y4 3/20 0.35
IKBKB O14920 2/20 0.34
CHUK O15111 1/20 0.34
PDE10A Q9Y233 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MAPK10 P53779 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
BRD4 O60885 1/20 0.33
EGFR P00533 1/20 0.33

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
SCHEMBL17443184 0.82 SLC2A2 (0.34) METPIK3C3IKBKB
SCHEMBL17437099 0.77 LMNA (0.41) LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL17437243 0.75 LMNA (0.42) LMNAMAPTIKBKBALDH1A1
SCHEMBL17437178 0.73 CCNC (0.65)
SCHEMBL12018096 0.72 MAPT (0.48) LMNAMAPTMEN1KMT2AUSP2
SCHEMBL17437183 0.72 MET (0.52) METIKBKB
SCHEMBL17437131 0.70 CCNC (0.39) IKBKBALDH1A1
SCHEMBL17437011 0.69 CCNC (0.52) LMNAMAPT
SCHEMBL15047853 0.69 LMNA (0.47) LMNAMAPTKMT2AALDH1A1PKM
SCHEMBL9464374 0.68 MAPT (0.42) LMNAMAPTMEN1KMT2AUSP2

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 MET 4168/4885LMNA 1389/4885MAPT 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.