SCHEMBL18170789

SCHEMBL18170789

COc1cccc(-c2ccc(NC(=O)c3ccccc3)c3c2CNC3=O)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.62
HDAC2 Q92769 1/20 0.53
HSP90AA1 P07900 1/20 0.51
HSP90AB1 P08238 1/20 0.51
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
NLRP3 Q96P20 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
HPGD P15428 1/20 0.45
DHODH Q02127 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GFER P55789 1/20 0.44

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
SCHEMBL18170643 0.94 KDR (0.62) KDRHDAC2MEN1KMT2ANPC1
SCHEMBL18170768 0.92 KDR (0.62) KDRHDAC2HSP90AA1HSP90AB1MEN1
SCHEMBL18170960 0.90 KDR (0.61) KDRHDAC2HSP90AA1HSP90AB1NPC1
SCHEMBL18170805 0.89 KDR (0.60) KDRMEN1KMT2ANPC1RAB9A
SCHEMBL18170592 0.89 KDR (0.64) KDRRAB9AMAPTPOLBHPGD
SCHEMBL18170505 0.89 KDR (0.60) KDRHDAC2MEN1KMT2ANPC1
SCHEMBL18170819 0.89 KDR (0.66) KDRHDAC2HSP90AA1HSP90AB1KMT2A
SCHEMBL18171024 0.88 KDR (0.58) KDRMEN1KMT2ANPC1RAB9A
SCHEMBL18170853 0.88 KDR (0.75) KDRHDAC2MEN1KMT2APOLB
SCHEMBL18170529 0.87 KDR (0.57) KDRDHODH

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 7 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-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
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 1662/4885HDAC2 2231/4885HSP90AA1 2560/4885

“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.