SCHEMBL18170777

SCHEMBL18170777

O=C(Nc1ccc(-c2cccs2)c2c1C(=O)NC2)c1ccc(NCCN2CCCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.42
TNIK Q9UKE5 1/20 0.40
LTK P29376 1/20 0.39
CDK5 Q00535 1/20 0.39
MST1R Q04912 1/20 0.39
DYRK1A Q13627 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
EPHX2 P34913 2/20 0.38
NAMPT P43490 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAPK14 Q16539 2/20 0.36
HDAC1 Q13547 2/20 0.36
CHRNA7 P36544 2/20 0.36
KCNH2 Q12809 2/20 0.36
CACNA1G O43497 2/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35

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
SCHEMBL18170722 0.93 KDR (0.44) KDRLTKCDK5MST1RDYRK1A
SCHEMBL18170791 0.92 MAPK14 (0.44) KDREPHX2MAPK14HDAC1
SCHEMBL18170931 0.87 KDR (0.54) KDRTNIKCHRNA7KCNH2
SCHEMBL18170539 0.87 KDR (0.54) KDRTNIKCHRNA7KCNH2
SCHEMBL18170686 0.87 KDR (0.49) KDRLTKCDK5MST1RDYRK1A
SCHEMBL18170443 0.86 KDR (0.55) KDRTNIKHDAC1CHRNA7KCNH2
SCHEMBL18170924 0.84 KDR (0.47) KDRLTKCDK5MST1RDYRK1A
SCHEMBL18170493 0.84 KDR (0.44) KDRTNIKEPHX2NAMPTCYP1A2
SCHEMBL18170494 0.84 KDR (0.44) KDRTNIKEPHX2NAMPTCYP1A2
SCHEMBL18170663 0.84 KDR (0.46) KDRTNIKLTKCDK5MST1R

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 5 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
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 1662/4885TNIK 1/4885LTK 66/4885

“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.