SCHEMBL18170933

SCHEMBL18170933

COc1cccc(-c2ccc(NC(=O)c3ccco3)c3c2CNC3=O)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.47
MAPT P10636 6/20 0.47
HSD17B10 Q99714 5/20 0.47
POLB P06746 2/20 0.47
LMNA P02545 1/20 0.47
CASP1 P29466 1/20 0.47
HTT P42858 1/20 0.47
CASP7 P55210 1/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 2/20 0.47
HPGD P15428 3/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ESR1 P03372 1/20 0.46
TSHR P16473 5/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
GAA P10253 2/20 0.45
PKM P14618 1/20 0.45
TP53 P04637 3/20 0.45

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
SCHEMBL18171028 0.85 KDR (0.55) KDM4EMAPTHSD17B10KMT2AMEN1
SCHEMBL18170536 0.83 CASP3 (0.47) KDM4EHSD17B10RAB9ANPC1HPGD
SCHEMBL18170737 0.81 APLNR (0.50) KDM4EMAPTPOLBLMNACASP1
SCHEMBL18170629 0.81 KDM4E (0.45) KDM4EMAPTHSD17B10POLBLMNA
SCHEMBL18170750 0.79 TSHR (0.57) KDM4EMAPTHSD17B10HTTRAB9A
SCHEMBL18170774 0.79 ALDH1A1 (0.46) KDM4EMAPTHSD17B10CASP1CASP7
SCHEMBL18170882 0.78 KDR (0.47) MAPTPOLBKMT2AMEN1ALDH1A1
SCHEMBL18170759 0.78 KDR (0.49) MAPTPOLBKMT2AMEN1SMN1; SMN2
SCHEMBL18170711 0.78 KDR (0.54) KDM4EMAPTHSD17B10LMNAHTT
SCHEMBL18170648 0.76 KDR (0.56) KDM4EMAPTHSD17B10RAB9ANPC1

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 KDM4E 2051/4885MAPT 1133/4885HSD17B10 4794/4885

“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.