SCHEMBL18170847

SCHEMBL18170847

CS(=O)(=O)c1cccc(-c2ccc(NC(=O)c3ccccc3)c3c2CNC3=O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.61
ALDH1A1 P00352 3/20 0.46
CASP3 P42574 1/20 0.43
ROCK2 O75116 1/20 0.41
RET P07949 1/20 0.41
FLT1 P17948 1/20 0.41
EPHA2 P29317 1/20 0.41
AXL P30530 1/20 0.41
FLT4 P35916 1/20 0.41
FLT3 P36888 1/20 0.41
FRK P42685 1/20 0.41
AURKB Q96GD4 1/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
RXFP1 Q9HBX9 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MMP14 P50281 1/20 0.39
PLK4 O00444 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
SCHEMBL18170778 0.94 KDR (0.61) KDRALDH1A1CASP3ROCK2RXFP1
SCHEMBL18170718 0.89 KDR (0.59) KDRALDH1A1CASP3MEN1KMT2A
SCHEMBL18170456 0.89 KDR (0.65) KDRALDH1A1CASP3CYP1A2TSHR
SCHEMBL18170853 0.87 KDR (0.75) KDRCASP3ROCK2RETFLT1
SCHEMBL18170934 0.86 KDR (0.68) KDRCASP3ROCK2RETFLT1
SCHEMBL18171025 0.85 KDR (0.69) KDRCASP3AURKBCYP1A2TSHR
SCHEMBL18170592 0.84 KDR (0.64) KDRCASP3AXL
SCHEMBL18170453 0.84 KDR (0.63) KDRCASP3CYP1A2TSHRMEN1
SCHEMBL18170712 0.84 KDR (0.63) KDRCASP3RXFP1MEN1KMT2A
SCHEMBL18170547 0.83 KDR (0.62) KDRALDH1A1CASP3ROCK2RET

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 4760/4885CASP3 2056/4885

“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.