SCHEMBL18170734

SCHEMBL18170734

CCCc1ccc(-c2ccc(NC(=O)c3ccccc3)c3c2CNC3=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.64
ITK Q08881 1/20 0.42
ABCG2 Q9UNQ0 3/20 0.41
ABCB1 P08183 1/20 0.41
CASP3 P42574 1/20 0.40
PLK1 P53350 3/20 0.40
PLK3 Q9H4B4 3/20 0.40
TRPV1 Q8NER1 1/20 0.40
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39

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
SCHEMBL18170836 0.92 KDR (0.66) KDRITKCASP3
SCHEMBL18171025 0.87 KDR (0.69) KDRITKCASP3
SCHEMBL18171021 0.86 KDR (0.75) KDRITKCASP3
SCHEMBL18170572 0.85 KDR (0.61) KDRPLK1
SCHEMBL18170797 0.85 KDR (0.61) KDRPLK1
SCHEMBL18170695 0.85 KDR (0.68) KDRCASP3
SCHEMBL18170496 0.85 KDR (0.62) KDR
SCHEMBL18170534 0.84 KDR (0.67) KDRCASP3TRPV1SENP8SENP7
SCHEMBL18170451 0.84 KDR (0.66) KDRCASP3
SCHEMBL18170598 0.84 KDR (0.66) KDRCASP3

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 1662/4885ITK 52/4885ABCG2 1908/4885

“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.