SCHEMBL18170458

SCHEMBL18170458

CN(C)CCCNc1ccc(C(=O)Nc2ccc(Nc3ccccc3)c3c2C(=O)NC3)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.47
TOP2B Q02880 2/20 0.43
TERT O14746 2/20 0.40
PLK1 P53350 3/20 0.39
NAMPT P43490 3/20 0.39
MCHR1 Q99705 2/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
CACNA1H O95180 2/20 0.38
CACNA1B Q00975 1/20 0.38
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
SCHEMBL18170969 0.94 KDR (0.49) KDRTOP2BPLK1MCHR1CYP1A2
SCHEMBL18170499 0.91 KDR (0.50) KDRPLK1CYP1A2TSHRHDAC1
SCHEMBL18170798 0.90 KDR (0.49) KDRPLK1NAMPTCYP1A2TSHR
SCHEMBL18170932 0.89 KDR (0.52) KDRCYP1A2TSHRHDAC1
SCHEMBL18170763 0.88 KDR (0.57) KDRTOP2BTERTPLK1NAMPT
SCHEMBL18170873 0.88 KDR (0.47) KDRPLK1CYP1A2TSHRHDAC1
SCHEMBL18170450 0.86 TOP2B (0.42) KDRTOP2BTERTPLK1NAMPT
SCHEMBL18170586 0.86 KDR (0.49) KDRPLK1CYP1A2TSHR
SCHEMBL18170446 0.86 KDR (0.49) KDRCYP1A2TSHRHDAC1
SCHEMBL18170975 0.85 KDR (0.49) KDRPLK1CYP1A2TSHRCACNA1B

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 866/4885TERT 1799/4885

“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.