SCHEMBL18170969

SCHEMBL18170969

CN(C)CCNc1ccc(C(=O)Nc2ccc(Nc3ccccc3)c3c2C(=O)NC3)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.49
TOP2B Q02880 2/20 0.41
TNIK Q9UKE5 1/20 0.40
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.39
SYK P43405 1/20 0.39
PARP1 P09874 1/20 0.38
HDAC1 Q13547 2/20 0.38
TYK2 P29597 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
PLK1 P53350 2/20 0.37
MCHR1 Q99705 1/20 0.36
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
GSK3B P49841 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
SCHEMBL18170458 0.94 KDR (0.47) KDRTOP2BCYP1A2TSHRHDAC1
SCHEMBL18170932 0.88 KDR (0.52) KDRTNIKCYP1A2TSHRHDAC1
SCHEMBL18170486 0.88 KDR (0.59) KDRTOP2BTNIKPARP1HDAC1
SCHEMBL18170586 0.88 KDR (0.49) KDRCYP1A2TSHRMEN1POLB
SCHEMBL18170446 0.87 KDR (0.49) KDRTNIKCYP1A2TSHRHDAC1
SCHEMBL18170975 0.87 KDR (0.49) KDRCYP1A2TSHRHDAC1TYK2
SCHEMBL18170499 0.87 KDR (0.50) KDRCYP1A2TSHRHDAC1TYK2
SCHEMBL18170873 0.86 KDR (0.47) KDRCYP1A2TSHRHDAC1TYK2
SCHEMBL18170798 0.86 KDR (0.49) KDRCYP1A2TSHRHDAC1MEN1
SCHEMBL18170728 0.85 KDR (0.42) KDRTOP2BTNIKCYP1A2PARP1

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 1662/4885TOP2B 866/4885TNIK 1/4885

“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.