SCHEMBL18170932

SCHEMBL18170932

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.52
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
MAPK14 Q16539 2/20 0.39
GSK3B P49841 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
HDAC1 Q13547 2/20 0.38
AURKA O14965 3/20 0.37
HDAC3 O15379 1/20 0.37
HDAC2 Q92769 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
TNIK Q9UKE5 1/20 0.37
TYK2 P29597 1/20 0.37
MT-CO2 P00403 1/20 0.37

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 0.94 KDR (0.50) KDRCYP1A2TSHRMEN1KMT2A
SCHEMBL18170798 0.93 KDR (0.49) KDRCYP1A2TSHRMEN1KMT2A
SCHEMBL18170446 0.91 KDR (0.49) KDRCYP1A2TSHRMEN1KMT2A
SCHEMBL18170586 0.89 KDR (0.49) KDRCYP1A2TSHRMEN1KMT2A
SCHEMBL18170873 0.89 KDR (0.47) KDRCYP1A2TSHRMEN1KMT2A
SCHEMBL18170458 0.89 KDR (0.47) KDRCYP1A2TSHRHDAC1
SCHEMBL18170969 0.88 KDR (0.49) KDRCYP1A2TSHRMEN1KMT2A
SCHEMBL18170975 0.88 KDR (0.49) KDRCYP1A2TSHRMEN1KMT2A
SCHEMBL18170524 0.88 KDR (0.61) KDRCYP1A2TSHRMAPK14HDAC1
SCHEMBL18170485 0.87 KDR (0.58) KDRCYP1A2TSHRMEN1KMT2A

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 1662/4885CYP1A2 3442/4885TSHR 1528/4885

“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.