SCHEMBL18170589

SCHEMBL18170589

COc1ccccc1C(=O)Nc1ccc(Nc2ccccc2)c2c1C(=O)NC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.52
GAA P10253 2/20 0.48
TP53 P04637 1/20 0.48
KCNK3 O14649 2/20 0.48
KCNK9 Q9NPC2 2/20 0.48
AURKA O14965 1/20 0.48
AURKB Q96GD4 1/20 0.48
KMT2A Q03164 2/20 0.47
MAPT P10636 4/20 0.47
TSHR P16473 2/20 0.47
MAPK1 P28482 2/20 0.47
HSD17B10 Q99714 1/20 0.47
KCNMA1 Q12791 1/20 0.46
RXFP1 Q9HBX9 4/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 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
SCHEMBL18170654 0.85 CASP3 (0.54) CASP3GAATP53KMT2AMAPT
SCHEMBL18170503 0.84 MEN1 (0.52) AURKAAURKBKMT2AMAPTMEN1
SCHEMBL18170574 0.83 F10 (0.51) GAATP53KCNK9KMT2AMEN1
SCHEMBL18170485 0.82 KDR (0.58) CASP3KCNK3KCNK9AURKAAURKB
SCHEMBL18170912 0.82 KDR (0.49) CASP3KMT2AMAPTMAPK1HSD17B10
SCHEMBL18170542 0.81 KDR (0.58) CASP3AURKAAURKBKMT2AMAPT
SCHEMBL18170578 0.81 NPC1 (0.53) KCNK9KMT2AMAPTTSHRMAPK1
SCHEMBL18170633 0.81 NPC1 (0.56) GAATP53KCNK3KCNK9KMT2A
SCHEMBL18170682 0.81 RAB9A (0.56) KCNK3KCNK9KMT2AMAPTRXFP1
SCHEMBL18170461 0.79 MEN1 (0.52) CASP3KCNK3KCNK9AURKAAURKB

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 CASP3 2056/4885GAA 2982/4885TP53 323/4885

“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.