SCHEMBL18170722

SCHEMBL18170722

CN1CCN(CCNc2ccc(C(=O)Nc3ccc(-c4cccs4)c4c3C(=O)NC4)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.44
HDAC1 Q13547 3/20 0.41
CSF1R P07333 7/20 0.40
KIT P10721 6/20 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
HDAC2 Q92769 2/20 0.38
MAPK14 Q16539 3/20 0.38
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
NAMPT P43490 1/20 0.37

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
SCHEMBL18170777 0.93 KDR (0.42) KDRHDAC1LTKCDK5MST1R
SCHEMBL18170791 0.92 MAPK14 (0.44) KDRHDAC1HDAC2MAPK14
SCHEMBL18170944 0.88 KDR (0.56) KDRHDAC1HDAC2MAPK14HDAC8
SCHEMBL18170686 0.87 KDR (0.49) KDRHDAC1LTKCDK5MST1R
SCHEMBL18170924 0.86 KDR (0.47) KDRHDAC1LTKCDK5MST1R
SCHEMBL18170663 0.85 KDR (0.46) KDRHDAC1LTKCDK5MST1R
SCHEMBL18170702 0.85 KDR (0.45) KDRHDAC2MAPK14HDAC8HDAC6
SCHEMBL18170465 0.84 KDR (0.46) KDRHDAC1HDAC2MAPK14HDAC8
SCHEMBL18170801 0.83 KDR (0.54) KDRHDAC1MAPK14
SCHEMBL18170640 0.83 KDR (0.43) KDRMAPK14NAMPT

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 1662/4885HDAC1 2587/4885CSF1R 2206/4885

“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.