SCHEMBL18170882

SCHEMBL18170882

COCCNc1ccc(C(=O)Nc2ccc(-c3cccc(OC)c3OC)c3c2C(=O)NC3)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.47
NAMPT P43490 1/20 0.40
RPS6KA2 Q15349 1/20 0.39
HDAC1 Q13547 1/20 0.38
CASP3 P42574 2/20 0.37
PKM P14618 1/20 0.36
MAP4K1 Q92918 2/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
MCL1 Q07820 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL18170759 0.93 KDR (0.49) KDRNAMPTRPS6KA2HDAC1CASP3
SCHEMBL18170478 0.92 KDR (0.46) KDRNAMPTRPS6KA2HDAC1CASP3
SCHEMBL18170679 0.92 KDR (0.49) KDRNAMPTRPS6KA2HDAC1CASP3
SCHEMBL18170780 0.91 KDR (0.45) KDRNAMPTRPS6KA2HDAC1CASP3
SCHEMBL18170694 0.90 TOP2B (0.44) KDRNAMPTRPS6KA2HDAC1
SCHEMBL18170829 0.89 KDR (0.43) KDRNAMPTRPS6KA2MEN1MAPT
SCHEMBL18170536 0.89 CASP3 (0.47) KDRNAMPTCASP3GAAKMT2A
SCHEMBL18170843 0.88 KDR (0.43) KDRNAMPTRPS6KA2MEN1MAPT
SCHEMBL18170640 0.88 KDR (0.43) KDRNAMPTRPS6KA2ALDH1A1
SCHEMBL18171034 0.88 KDR (0.43) KDRNAMPTRPS6KA2MEN1MAPT

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 1662/4885NAMPT 2189/4885RPS6KA2 175/4885

“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.