SCHEMBL18170797

SCHEMBL18170797

CCCCOc1ccc(-c2ccc(NC(=O)c3ccccc3)c3c2CNC3=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.61
PLK1 P53350 4/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 4/20 0.46
TP53 P04637 2/20 0.46
RXFP1 Q9HBX9 2/20 0.46
NR1H4 Q96RI1 2/20 0.44
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
STAT3 P40763 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL18170572 0.96 KDR (0.61) KDRPLK1KMT2AMEN1MAPT
SCHEMBL18170496 0.92 KDR (0.62) KDRKMT2AMEN1SMN1; SMN2
SCHEMBL18170688 0.91 KDR (0.57) KDRKMT2AMEN1MAPTTP53
SCHEMBL18170819 0.87 KDR (0.66) KDRKMT2AMAPT
SCHEMBL18170684 0.86 KDR (0.51) KDRPLK1KMT2AMEN1MAPT
SCHEMBL18171024 0.86 KDR (0.58) KDRKMT2AMEN1MAPTTP53
SCHEMBL18170734 0.85 KDR (0.64) KDRPLK1
SCHEMBL18170836 0.85 KDR (0.66) KDRKMT2AMEN1NR1H4
SCHEMBL18171025 0.84 KDR (0.69) KDRKMT2AMEN1
SCHEMBL18170715 0.84 KDR (0.62) KDRKMT2AMEN1MAPTTP53

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 1662/4885PLK1 351/4885KMT2A 1369/4885

“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.