SCHEMBL18170540

SCHEMBL18170540

Nc1ccc(-c2ccc(Cl)cc2)c2c1C(=O)NC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.52
JAK2 O60674 1/20 0.44
NTRK1 P04629 1/20 0.44
MET P08581 1/20 0.44
FGFR1 P11362 1/20 0.44
PRKACA P17612 1/20 0.44
MAP2K2 P36507 1/20 0.44
FLT3 P36888 1/20 0.44
GSK3B P49841 1/20 0.44
MAP2K1 Q02750 1/20 0.44
MST1R Q04912 1/20 0.44
NTRK3 Q16288 1/20 0.44
NTRK2 Q16620 1/20 0.44
CAMK1D Q8IU85 1/20 0.44
CLK1 P49759 1/20 0.39
CLK2 P49760 1/20 0.39
CLK3 P49761 1/20 0.39
TDP2 O95551 1/20 0.37
DPP4 P27487 1/20 0.37
MAP3K9 P80192 2/20 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
SCHEMBL18170563 0.85 KDR (0.61) KDRNTRK1METFLT3GSK3B
SCHEMBL18170475 0.85 KDR (0.52) KDRNTRK1FLT3GSK3BMAP3K9
SCHEMBL3046347 0.85 KDR (0.55) KDRCLK1CLK2CLK3MAP3K9
SCHEMBL3043388 0.84 KDR (0.54) KDRPRKACANTRK2CLK1CLK2
SCHEMBL18170546 0.83 KDR (0.50) KDRCLK1CLK2CLK3MAP3K9
SCHEMBL30701043 0.83 KDR (0.50) KDRCLK1CLK2CLK3MAP3K9
SCHEMBL18170608 0.81 KDR (0.52) KDRFLT3MAP3K9MAP3K11NPC1
SCHEMBL18170855 0.80 KDR (0.56) KDRNTRK1METFLT3GSK3B
SCHEMBL18863294 0.77 ADORA2A (0.41) KDRPRKACACLK1CLK2CLK3
SCHEMBL21436497 0.76 THRB (0.42) KDRPRKACAMAP3K9MAP3K11CSF1R

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
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-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
US-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-27 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 KDR 1662/4885JAK2 722/4885NTRK1 251/4885

“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.