SCHEMBL18170551

SCHEMBL18170551

COc1ccc(C(=O)Nc2ccc(-c3ccc(C(C)=O)cc3)c3c2C(=O)NC3)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.55
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 1/20 0.47
F10 P00742 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 2/20 0.42
HTT P42858 1/20 0.42
CCNE2 O96020 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GSK3B P49841 1/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL18170898 0.91 KDR (0.59) KDRALDH1A1KDM4EMAPTHPGD
SCHEMBL18170800 0.91 KDR (0.54) KDRALDH1A1KDM4EMAPTHPGD
SCHEMBL18170505 0.91 KDR (0.60) KDRALDH1A1KDM4EMAPTHPGD
SCHEMBL18170819 0.91 KDR (0.66) KDRALDH1A1KDM4EMAPTHPGD
SCHEMBL18170695 0.88 KDR (0.68) KDRMEN1KMT2ACA12CA2
SCHEMBL18170772 0.82 KDR (0.66) KDRMAPTHPGDKMT2AGAA
SCHEMBL18170768 0.81 KDR (0.62) KDRALDH1A1MAPTHPGDMEN1
SCHEMBL18170496 0.80 KDR (0.62) KDRALDH1A1KDM4EHPGDMEN1
SCHEMBL18170789 0.80 KDR (0.62) KDRMAPTHPGDMEN1KMT2A
SCHEMBL18170715 0.80 KDR (0.62) KDRALDH1A1KDM4EMAPTMEN1

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 1662/4885ALDH1A1 4760/4885KDM4E 2051/4885

“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.