SCHEMBL18170519

SCHEMBL18170519

CC(C)(O)c1ccc(NC(=O)c2ccc(NCCN3CCCC3)cc2)c2c1CNC2=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.41
KDR P35968 2/20 0.39
CYP2C9 P11712 2/20 0.39
NPSR1 Q6W5P4 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
TNIK Q9UKE5 1/20 0.37
CTNNB1 P35222 1/20 0.37
TCF7L2 Q9NQB0 1/20 0.37
NAMPT P43490 2/20 0.36
PARP1 P09874 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
CHRNA7 P36544 1/20 0.36
KCNH2 Q12809 1/20 0.36
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL18170436 0.85 EPHX2 (0.41) EPHX2KDRCYP2C9NPSR1CYP1A2
SCHEMBL18170479 0.85 KDR (0.40) EPHX2KDRCYP2C9NPSR1CYP1A2
SCHEMBL18170701 0.84 CYP1A2 (0.41) EPHX2KDRCYP2C9NPSR1CYP1A2
SCHEMBL18170749 0.84 CYP1A2 (0.41) EPHX2KDRCYP2C9NPSR1CYP1A2
SCHEMBL18170468 0.83 EPHX2 (0.39) EPHX2KDRCYP2C9NPSR1CYP1A2
SCHEMBL18170490 0.83 KDR (0.45) EPHX2KDRCYP2C9CYP1A2CYP2D6
SCHEMBL18170541 0.82 KDR (0.45) EPHX2KDRCYP2C9CYP1A2CYP2D6
SCHEMBL18170837 0.82 KDR (0.45) EPHX2KDRCYP2C9CYP1A2CYP2D6
SCHEMBL18170443 0.82 KDR (0.55) KDRTNIKPARP1TRPV1CHRNA7
SCHEMBL18170854 0.82 KDR (0.43) EPHX2KDRNPSR1TNIKCTNNB1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 EPHX2 4182/4885KDR 1662/4885CYP2C9 4157/4885

“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.