SCHEMBL18170634

SCHEMBL18170634

COCCCNc1ccc(C(=O)Nc2ccc(-c3ccco3)c3c2C(=O)NC3)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.47
PLK1 P53350 3/20 0.37
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
PDE4B Q07343 1/20 0.35
PDE7A Q13946 1/20 0.35
MAP4K1 Q92918 1/20 0.34
PSMD14 O00487 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
ALOX12 P18054 1/20 0.34
IMPDH2 P12268 1/20 0.34
IMPDH1 P20839 1/20 0.34
NAMPT P43490 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL18170426 0.95 KDR (0.48) KDRALDH1A1MAPTMAP4K1PSMD14
SCHEMBL18170471 0.89 KDR (0.46) KDRPLK1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL18170668 0.89 KDR (0.50) KDRPLK1ALDH1A1MAPTRAB9A
SCHEMBL18170513 0.87 KDR (0.47) KDRPLK1RAB9ASMN1; SMN2NPC1
SCHEMBL18170967 0.86 KDR (0.44) KDRPLK1POLBKMT2A
SCHEMBL18170810 0.86 KDR (0.58) KDRPLK1KDM4ENAMPTMEN1
SCHEMBL18170492 0.86 KDR (0.43) KDRMAPTNAMPT
SCHEMBL18170743 0.85 CHRNA7 (0.43) KDRMAPTNAMPT
SCHEMBL18170659 0.85 PIK3CD (0.46) KDRALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL18170702 0.84 KDR (0.45) KDRMAP4K1NAMPT

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 1662/4885PLK1 351/4885ALDH1A1 4760/4885

“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.