SCHEMBL18170889

SCHEMBL18170889

CN(C)CCCNc1ccc(C(=O)Nc2ccc(-c3ccccc3O)c3c2C(=O)NC3)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.49
TOP2B Q02880 3/20 0.43
TERT O14746 2/20 0.40
BRCA1 P38398 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
NAMPT P43490 2/20 0.38
CSF1R P07333 1/20 0.36
PLK1 P53350 2/20 0.36
DNMT1 P26358 1/20 0.35
DNMT3L Q9UJW3 1/20 0.35
DNMT3A Q9Y6K1 1/20 0.35

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
SCHEMBL18171015 0.91 KDR (0.52) KDRCSF1RPLK1
SCHEMBL18170425 0.90 KDR (0.51) KDRNAMPTCSF1RPLK1
SCHEMBL18170763 0.90 KDR (0.57) KDRTOP2BTERTNAMPTPLK1
SCHEMBL18170849 0.89 KDR (0.54) KDRCSF1R
SCHEMBL18170850 0.88 KDR (0.46) KDRTOP2BTERT
SCHEMBL18170694 0.85 TOP2B (0.44) KDRTOP2BTERTNAMPT
SCHEMBL18170458 0.85 KDR (0.47) KDRTOP2BTERTNAMPTPLK1
SCHEMBL18170471 0.85 KDR (0.46) KDRTOP2BTERTSMN1; SMN2NAMPT
SCHEMBL18170486 0.84 KDR (0.59) KDRTOP2B
SCHEMBL18170429 0.84 KDR (0.47) KDRTOP2BSMN1; SMN2NAMPT

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.