SCHEMBL22434713

SCHEMBL22434713

COc1cc(Cl)c2cnccc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
MAOA P21397 2/20 0.41
PDE2A O00408 2/20 0.38
PDE10A Q9Y233 2/20 0.38
CHUK O15111 1/20 0.38
ACHE P22303 1/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
JAK2 O60674 1/20 0.35
HIPK2 Q9H2X6 1/20 0.35
LMNA P02545 1/20 0.34
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
CYP17A1 P05093 1/20 0.34
CYP3A4 P08684 1/20 0.34
DYRK1A Q13627 1/20 0.34

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
SCHEMBL30344059 0.77 POLB (0.50) MAOAMAPTKDM4EALDH1A1HPGD
SCHEMBL899079 0.77 POLB (0.50) MAOAMAPTKDM4EALDH1A1HPGD
SCHEMBL4789438 0.77 HIPK2 (0.39) CHUKKDM4EALDH1A1HPGDJAK2
SCHEMBL7814367 0.75 LMNA (0.64) ACHEMAPTKDM4EALDH1A1HPGD
SCHEMBL16650948 0.73 L3MBTL1 (0.58) ACHEMAPTL3MBTL1LMNA
SCHEMBL20887571 0.73 CCNC (0.41) CCNCCDK8CHUKJAK2HIPK2
SCHEMBL5639914 0.72 POLB (0.47) PDE2APDE10AACHEKDM4EALDH1A1
SCHEMBL31327735 0.71 NT5E (0.57) KDM4EALDH1A1JAK2HIPK2LMNA
SCHEMBL11183612 0.71 MAOA (0.50) MAOAPDE2APDE10ACHUKACHE
SCHEMBL28894255 0.70 ACHE (0.46) ACHEKDM4EALDH1A1HPGDLMNA

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-20200291020-A1 NEW [1,6]NAPHTHYRIDINE COMPOUNDS AND DERIVATIVES AS CDK8/CDK19 INHIBITORS BOEHRINGER INGELHEIM RCV GMBH & CO. KG (AT) 2020-09-17 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-20200291020-A1 NEW [1,6]NAPHTHYRIDINE COMPOUNDS AND DERIVATIVES AS CDK8/CDK19 INHIBITORS CDK9, CDK19, CDK8 CCNC 39/4885CDK8 3/4885MAOA 2540/4885

“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.