SCHEMBL18170711

SCHEMBL18170711

COc1ccc(-c2ccc(NC(=O)c3ccccc3)c3c2CNC3=O)c(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.54
HDAC8 Q9BY41 2/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HDAC4 P56524 1/20 0.40
HDAC2 Q92769 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ATM Q13315 1/20 0.40
CASP3 P42574 1/20 0.40
MAPT P10636 1/20 0.40
AHR P35869 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 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
SCHEMBL18171028 0.93 KDR (0.55) KDRMEN1KMT2AMAPK1KDM4E
SCHEMBL18170648 0.89 KDR (0.56) KDRHDAC8HDAC1HDAC6MEN1
SCHEMBL18170488 0.86 KDR (0.59) KDRHDAC8HDAC1HDAC6MEN1
SCHEMBL18170720 0.86 KDR (0.54) KDRHDAC8HDAC1HDAC6MEN1
SCHEMBL18170776 0.86 KDR (0.54) KDRMEN1KMT2ASMN1; SMN2CASP3
SCHEMBL18170879 0.86 KDR (0.56) KDRMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL18170536 0.85 CASP3 (0.47) KDRKMT2AKDM4EHSD17B10SMN1; SMN2
SCHEMBL18170747 0.85 KDR (0.55) KDRMEN1KMT2AMAPK1KDM4E
SCHEMBL18170900 0.85 KDR (0.55) KDRHDAC8HDAC1HDAC6MEN1
SCHEMBL18170644 0.85 KDR (0.62) KDRHDAC8HDAC1HDAC6MEN1

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 1662/4885HDAC8 1760/4885HDAC1 2587/4885

“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.