SCHEMBL18170782

SCHEMBL18170782

CC(=O)Nc1ccc(C(=O)Nc2ccc(Nc3ccccc3)c3c2C(=O)NC3)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.56
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CACNA1B Q00975 1/20 0.50
APBA1 Q02410 1/20 0.50
POLB P06746 2/20 0.47
MAPT P10636 1/20 0.47
HDAC1 Q13547 5/20 0.45
CYP1A2 P05177 1/20 0.44
TSHR P16473 1/20 0.44
GSK3B P49841 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
HSD17B10 Q99714 1/20 0.41
AURKA O14965 1/20 0.41

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
SCHEMBL18170485 0.90 KDR (0.58) KDRMEN1KMT2APOLBCYP1A2
SCHEMBL18170542 0.89 KDR (0.58) KDRMEN1KMT2APOLBMAPT
SCHEMBL18170975 0.87 KDR (0.49) KDRMEN1KMT2ACACNA1BAPBA1
SCHEMBL18170949 0.87 KDR (0.61) KDRMAPTCYP1A2TSHRAURKA
SCHEMBL18170461 0.87 MEN1 (0.52) KDRMEN1KMT2APOLBHDAC1
SCHEMBL18170574 0.86 F10 (0.51) KDRMEN1KMT2APOLBHDAC1
SCHEMBL18170623 0.86 KDR (0.68) KDRMEN1KMT2ACACNA1BAPBA1
SCHEMBL18170549 0.84 KDR (0.53) KDRMEN1KMT2APOLBHDAC1
SCHEMBL18170932 0.84 KDR (0.52) KDRMEN1KMT2APOLBHDAC1
SCHEMBL18170578 0.84 NPC1 (0.53) KDRMEN1KMT2APOLBMAPT

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.