SCHEMBL18170720

SCHEMBL18170720

COc1ccc(OC)c(-c2ccc(NC(=O)c3ccccc3)c3c2CNC3=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.54
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
MAPT P10636 4/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAPK1 P28482 1/20 0.46
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.45
LMNA P02545 2/20 0.44
AHR P35869 1/20 0.44
HTT P42858 1/20 0.44
MAPK14 Q16539 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CYP1A1 P04798 1/20 0.43

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
SCHEMBL18170879 0.94 KDR (0.56) KDRMEN1KMT2ATP53GAA
SCHEMBL18170648 0.89 KDR (0.56) KDRMEN1KMT2ATP53GAA
SCHEMBL18170711 0.86 KDR (0.54) KDRMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL18170819 0.86 KDR (0.66) KDRKMT2AGAAMAPTNPC1
SCHEMBL18170644 0.85 KDR (0.62) KDRMEN1KMT2AMAPTMAPK1
SCHEMBL18170900 0.85 KDR (0.55) KDRMEN1KMT2ATP53GAA
SCHEMBL18170747 0.85 KDR (0.55) KDRMEN1KMT2AGAASMN1; SMN2
SCHEMBL18170789 0.85 KDR (0.62) KDRMEN1KMT2ATP53SMN1; SMN2
SCHEMBL18170768 0.85 KDR (0.62) KDRMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL18170488 0.85 KDR (0.59) KDRMEN1KMT2ATP53GAA

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 1662/4885MEN1 1064/4885KMT2A 1369/4885

“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.