SCHEMBL18170739

SCHEMBL18170739

[c]1c(-c2ccccc2)cnc2[nH]ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 8/20 0.47
AXL P30530 3/20 0.47
MAPK1 P28482 2/20 0.46
JAK2 O60674 5/20 0.40
MAPK8 P45983 4/20 0.40
CLK4 Q9HAZ1 4/20 0.40
MAP4K4 O95819 4/20 0.40
KDR P35968 4/20 0.40
AURKB Q96GD4 4/20 0.40
DYRK1A Q13627 3/20 0.40
PRKD3 O94806 3/20 0.40
FLT1 P17948 3/20 0.40
CLK2 P49760 3/20 0.40
CDK5 Q00535 3/20 0.40
MAP4K2 Q12851 3/20 0.40
NTRK3 Q16288 3/20 0.40
DYRK1B Q9Y463 3/20 0.40
CDK7 P50613 3/20 0.40
ROCK1 Q13464 3/20 0.40
IGF1R P08069 2/20 0.40

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
SCHEMBL9870917 0.71 NPC1 (0.39) MAPK1PDGFRBPDGFRA
SCHEMBL20527141 0.71 AXL (0.42) CDK8AXLMAPK1NUDT1
SCHEMBL21855771 0.71 MAPK1 (0.38) CDK8AXLMAPK1NUDT1MKNK2
SCHEMBL18493469 0.71 AXL (0.46) CDK8AXLMAPK1KDRFGFR1
SCHEMBL18170786 0.70 ALDH1A1 (0.43) JAK2CLK4MAP4K4KDRDYRK1A
SCHEMBL16967479 0.67 MAPK1 (0.33) CDK8AXLMAPK1JAK2KDR
SCHEMBL17674819 0.64 AXL (0.33) CDK8AXLMAPK1JAK2JAK3
SCHEMBL410704 0.64 CDK8 (1.00) CDK8AXLJAK2MAPK8CLK4
SCHEMBL12605504 0.63 MAPK1 (1.00) CDK8AXLMAPK1KDRFLT3
SCHEMBL10671059 0.63 CKS1B (0.38) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856216-B2 Compounds as TNIK, IKKε and TBK1 inhibitors and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2018-01-02 US claimed
US-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-27 US claimed
US-9856216-B2 Compounds as TNIK, IKKε and TBK1 inhibitors and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2018-01-02 US disclosed
US-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-27 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-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME TNIK, TNK1, NFKBIA CDK8 427/4885AXL 2741/4885MAPK1 912/4885

“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.