SCHEMBL18170763

SCHEMBL18170763

CN(C)CCCNc1ccc(C(=O)Nc2ccc(-c3ccccc3)c3c2C(=O)NC3)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.57
TOP2B Q02880 3/20 0.44
MCHR1 Q99705 1/20 0.41
TERT O14746 2/20 0.41
PLK1 P53350 2/20 0.39
NAMPT P43490 1/20 0.39
HDAC1 Q13547 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
SCHEMBL18170486 0.95 KDR (0.59) KDRTOP2BMCHR1HDAC1
SCHEMBL18170716 0.92 KDR (0.59) KDRPLK1HDAC1
SCHEMBL18170441 0.91 KDR (0.58) KDRPLK1NAMPT
SCHEMBL18170524 0.90 KDR (0.61) KDRHDAC1
SCHEMBL18170889 0.90 KDR (0.49) KDRTOP2BTERTPLK1NAMPT
SCHEMBL18170458 0.88 KDR (0.47) KDRTOP2BMCHR1TERTPLK1
SCHEMBL18170810 0.88 KDR (0.58) KDRPLK1NAMPT
SCHEMBL18170483 0.86 KDR (0.60) KDR
SCHEMBL18170850 0.86 KDR (0.46) KDRTOP2BTERTHDAC1
SCHEMBL18170471 0.86 KDR (0.46) KDRTOP2BTERTPLK1NAMPT

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 7 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-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
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 866/4885MCHR1 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.