SCHEMBL6232565

SCHEMBL6232565

COc1c(C#N)cc2ccccc2c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 2/20 0.44
DYRK1A Q13627 2/20 0.44
IMPDH2 P12268 1/20 0.44
IMPDH1 P20839 1/20 0.44
HSD11B1 P28845 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ERN1 O75460 1/20 0.38
POLB P06746 1/20 0.37
CLK2 P49760 1/20 0.36

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
SCHEMBL6230763 0.82 CLK1 (0.45) CLK1DYRK1AIMPDH2IMPDH1NCOA3
SCHEMBL13965487 0.78 CLK1 (0.40) CLK1DYRK1AIMPDH2IMPDH1NCOA3
SCHEMBL4656172 0.78 HPGD (0.43) CLK1DYRK1AIMPDH2IMPDH1NCOA3
SCHEMBL5165724 0.77 MAOA (0.42) CLK1DYRK1AIMPDH2IMPDH1NCOA3
SCHEMBL4874905 0.77 CLK1 (0.41) CLK1DYRK1AIMPDH2IMPDH1NCOA3
SCHEMBL6169227 0.77 CLK1 (0.41) CLK1DYRK1AIMPDH2IMPDH1NCOA3
SCHEMBL2328658 0.76 PTGES (0.48) HSD11B1KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL5183616 0.76 CLK1 (0.40) CLK1DYRK1AIMPDH2IMPDH1NCOA3
SCHEMBL4656053 0.76 KDM4E (0.51) CLK1DYRK1AIMPDH2IMPDH1KDM4E
SCHEMBL14144783 0.75 CLK1 (0.40) CLK1DYRK1AIMPDH2IMPDH1NCOA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050182269-A1 Process for the preparation of 3-cyano-1-naphthoic acid and some analogues thereof ASTRAZENECA AB (SE) 2005-08-18 US claimed
EP-1517884-A1 A PROCESS FOR THE PREPARATION OF 3-CYANO-1-NAPHTHOIC ACID AND SOME ANALOGUES THEREOF AstraZeneca AB (SE) 2005-03-30 EP claimed
WO-2004000792-A1 A PROCESS FOR THE PREPARATION OF 3-CYANO-1-NAPHTHOIC ACID AND SOME ANALOGUES THEREOF ASTRAZENECA AB (SE) 2003-12-31 WO claimed

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-20050182269-A1 Process for the preparation of 3-cyano-1-naphthoic acid and some analogues thereof CYP8B1, CYP51A1, NISCH CLK1 1384/4885DYRK1A 3166/4885IMPDH2 672/4885

“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.