SCHEMBL18170798

SCHEMBL18170798

O=C(Nc1ccc(Nc2ccccc2)c2c1C(=O)NC2)c1ccc(NCCCCO)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.49
PLK1 P53350 3/20 0.41
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
KCNH3 Q9ULD8 3/20 0.37
GSK3B P49841 1/20 0.37
NAMPT P43490 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
HDAC1 Q13547 1/20 0.36
MAPK14 Q16539 2/20 0.36
AURKA O14965 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
SCHEMBL18170499 0.97 KDR (0.50) KDRPLK1CYP1A2TSHRMEN1
SCHEMBL18170932 0.93 KDR (0.52) KDRCYP1A2TSHRMEN1POLB
SCHEMBL18170873 0.90 KDR (0.47) KDRPLK1CYP1A2TSHRMEN1
SCHEMBL18170458 0.90 KDR (0.47) KDRPLK1CYP1A2TSHRNAMPT
SCHEMBL18170441 0.89 KDR (0.58) KDRPLK1CYP1A2TSHRNAMPT
SCHEMBL18170446 0.88 KDR (0.49) KDRCYP1A2TSHRMEN1POLB
SCHEMBL18170586 0.86 KDR (0.49) KDRPLK1CYP1A2TSHRMEN1
SCHEMBL18170863 0.86 CHRNA7 (0.45) KDRPOLBNAMPTHDAC1
SCHEMBL18170969 0.86 KDR (0.49) KDRPLK1CYP1A2TSHRMEN1
SCHEMBL18170975 0.86 KDR (0.49) KDRPLK1CYP1A2TSHRMEN1

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 351/4885CYP1A2 3442/4885

“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.