SCHEMBL18170772

SCHEMBL18170772

COC(=O)c1ccc(-c2ccc(NC(=O)c3ccccc3)c3c2CNC3=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.66
PTPN1 P18031 1/20 0.50
EGFR P00533 1/20 0.44
KMT2A Q03164 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
HPGD P15428 1/20 0.42
CASP3 P42574 1/20 0.41
MAPK14 Q16539 1/20 0.41
TSHR P16473 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL18170592 0.90 KDR (0.64) KDRHPGDCASP3MAPK14MAPT
SCHEMBL18170819 0.89 KDR (0.66) KDRKMT2AHPGDGAAMAPT
SCHEMBL18170695 0.89 KDR (0.68) KDRKMT2ACASP3TSHR
SCHEMBL18171025 0.89 KDR (0.69) KDRKMT2ACASP3TSHR
SCHEMBL18171021 0.88 KDR (0.75) KDRCASP3MAPT
SCHEMBL18170836 0.87 KDR (0.66) KDRKMT2ACASP3TSHR
SCHEMBL18170505 0.87 KDR (0.60) KDREGFRKMT2AHPGDGAA
SCHEMBL18170534 0.86 KDR (0.67) KDRKMT2ACASP3MAPK1L3MBTL1
SCHEMBL18170598 0.86 KDR (0.66) KDRKMT2AHPGDCASP3TSHR
SCHEMBL18170451 0.86 KDR (0.66) KDRKMT2AHPGDCASP3MAPT

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 1662/4885PTPN1 658/4885EGFR 993/4885

“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.