SCHEMBL18170631

SCHEMBL18170631

O=C(Nc1ccc(Nc2cccc(Cl)c2)c2c1C(=O)NC2)c1ccc(NCCN2CCCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
CSNK2A2 P19784 2/20 0.42
CSNK2B P67870 2/20 0.42
CSNK2A1 P68400 2/20 0.42
CSNK2A3 Q8NEV1 2/20 0.42
TNIK Q9UKE5 1/20 0.42
KDR P35968 2/20 0.41
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
CACNA1G O43497 2/20 0.39
HDAC1 Q13547 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TYK2 P29597 1/20 0.38
CNR2 P34972 1/20 0.38
RPS6KA3 P51812 1/20 0.38

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
SCHEMBL18170626 0.99 KDR (0.42) ALDH1A1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL18170930 0.95 MAPT (0.45) ALDH1A1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL18170823 0.94 MAPT (0.46) ALDH1A1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL18170953 0.91 KDR (0.51) ALDH1A1CSNK2A1TNIKKDRMAPT
SCHEMBL18170552 0.90 KDR (0.52) ALDH1A1CSNK2A1TNIKKDRMAPT
SCHEMBL18170837 0.90 KDR (0.45) ALDH1A1TNIKKDRMEN1KMT2A
SCHEMBL18170541 0.90 KDR (0.45) ALDH1A1TNIKKDRMEN1KMT2A
Hydrochloric Acid SCHEMBL18170880 0.89 KDR (0.44) ALDH1A1TNIKKDRMEN1LMNA
SCHEMBL18170490 0.89 KDR (0.45) TNIKKDRMEN1KMT2ATYK2
SCHEMBL18170727 0.88 HSD17B10 (0.43) ALDH1A1TNIKKDRMAPTLMNA

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 ALDH1A1 4760/4885CSNK2A2 79/4885CSNK2B 106/4885

“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.