SCHEMBL18170943

SCHEMBL18170943

COc1ccccc1-c1ccc(NC(=O)c2ccccc2)c2c1C(=O)NC2=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.54
HSP90AA1 P07900 1/20 0.52
HSP90AB1 P08238 1/20 0.52
STK10 O94804 3/20 0.50
SLK Q9H2G2 3/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MMP14 P50281 1/20 0.49
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GSK3B P49841 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MAPT P10636 1/20 0.45
AHR P35869 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 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
SCHEMBL18170579 0.91 CASP3 (0.53) CASP3HSP90AA1HSP90AB1STK10SLK
SCHEMBL18170648 0.82 KDR (0.56) CASP3HSP90AA1HSP90AB1STK10SLK
SCHEMBL18171018 0.81 CASP3 (0.59) CASP3MEN1KMT2AMMP14MAPK1
SCHEMBL9507852 0.76 KMT2A (0.65) CASP3HSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL18170488 0.75 KDR (0.59) CASP3HSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL18170616 0.75 KDR (0.49) CASP3HSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL18171028 0.74 KDR (0.55) CASP3HSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL18170900 0.74 KDR (0.55) MEN1KMT2AMAPK1KDM4EHSD17B10
SCHEMBL18170747 0.74 KDR (0.55) MEN1KMT2AMAPK1KDM4EHSD17B10
SCHEMBL18170650 0.74 ADORA2A (0.54) STK10SLKMEN1KMT2AMAPK1

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 CASP3 2056/4885HSP90AA1 2560/4885HSP90AB1 2192/4885

“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.