SCHEMBL18170778

SCHEMBL18170778

CS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3ccccc3)c3c2C(=O)NC3)c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.61
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
GAA P10253 2/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CASP3 P42574 1/20 0.41
KDM4A O75164 1/20 0.41
KDM4B O94953 1/20 0.41
KDM5C P41229 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
ROCK2 O75116 1/20 0.41
TDP1 Q9NUW8 1/20 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
SCHEMBL18170847 0.94 KDR (0.61) KDRALDH1A1SMN1; SMN2RXFP1GAA
SCHEMBL18170456 0.89 KDR (0.65) KDRALDH1A1MEN1KMT2ACASP3
SCHEMBL18170718 0.89 KDR (0.59) KDRALDH1A1HSD17B10MEN1KMT2A
SCHEMBL18170566 0.87 KDR (0.75) KDRALDH1A1MEN1KMT2AROCK2
SCHEMBL18171025 0.85 KDR (0.69) KDRMEN1KMT2ACASP3
SCHEMBL18170740 0.84 KDR (0.63) KDRRXFP1MEN1KMT2ACASP3
SCHEMBL18170588 0.84 KDR (0.63) KDRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL18170848 0.83 KDR (0.62) KDRALDH1A1SMN1; SMN2HSD17B10MEN1
SCHEMBL18170643 0.83 KDR (0.62) KDRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL18170522 0.83 KDR (0.62) KDRALDH1A1CASP3ROCK2

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 4760/4885SMN1; SMN2 878/4885

“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.