SCHEMBL18170694

SCHEMBL18170694

COc1cccc(-c2ccc(NC(=O)c3ccc(NCCCN(C)C)cc3)c3c2CNC3=O)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2B Q02880 2/20 0.44
KDR P35968 8/20 0.44
MCHR1 Q99705 2/20 0.39
NAMPT P43490 1/20 0.38
CACNA1H O95180 2/20 0.37
CACNA1B Q00975 1/20 0.37
FYN P06241 1/20 0.37
RPS6KA2 Q15349 1/20 0.36
TERT O14746 1/20 0.36
HDAC1 Q13547 1/20 0.36
CDK9 P50750 2/20 0.36
CCNT1 O60563 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CHEK1 O14757 1/20 0.36
DAPK3 O43293 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
PAK4 O96013 1/20 0.36
ABL1 P00519 1/20 0.36

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
SCHEMBL18170780 0.95 KDR (0.45) TOP2BKDRMCHR1NAMPTRPS6KA2
SCHEMBL18170759 0.91 KDR (0.49) KDRNAMPTRPS6KA2HDAC1MAP4K4
SCHEMBL18170882 0.90 KDR (0.47) KDRNAMPTRPS6KA2HDAC1
SCHEMBL18170478 0.89 KDR (0.46) KDRNAMPTRPS6KA2HDAC1
SCHEMBL18170429 0.88 KDR (0.47) TOP2BKDRMCHR1NAMPTFYN
SCHEMBL18170606 0.87 KDR (0.42) KDRMCHR1NAMPTCHEK1
SCHEMBL18170915 0.86 CHRNA7 (0.43) KDRMCHR1CHEK1
SCHEMBL18170856 0.86 KDR (0.42) KDRNAMPTLCK
SCHEMBL18170850 0.85 KDR (0.46) TOP2BKDRTERTHDAC1DYRK1A
SCHEMBL18170480 0.85 KDR (0.49) TOP2BKDRNAMPTRPS6KA2HDAC1

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 TOP2B 866/4885KDR 1662/4885MCHR1 4667/4885

“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.