SCHEMBL18170930

SCHEMBL18170930

O=C(Nc1ccc(Nc2cccc(Cl)c2)c2c1C(=O)NC2)c1ccc(NCCCN2CCCCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
KDR P35968 2/20 0.43
ALDH1A1 P00352 2/20 0.42
CHRNA7 P36544 4/20 0.41
KCNH2 Q12809 4/20 0.41
CSNK2A2 P19784 2/20 0.40
CSNK2B P67870 2/20 0.40
CSNK2A1 P68400 2/20 0.40
CSNK2A3 Q8NEV1 2/20 0.40
RAD52 P43351 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
TNIK Q9UKE5 1/20 0.38
HDAC1 Q13547 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
SCHEMBL18170823 0.99 MAPT (0.46) MAPTMEN1LMNAKMT2AKDR
SCHEMBL18170631 0.95 ALDH1A1 (0.43) MAPTMEN1LMNAKMT2AKDR
SCHEMBL18170626 0.94 KDR (0.42) MAPTMEN1LMNAKMT2AKDR
SCHEMBL18170761 0.91 KDR (0.50) MAPTKDRALDH1A1CHRNA7KCNH2
SCHEMBL18170508 0.91 KDR (0.51) MAPTKDRALDH1A1CHRNA7KCNH2
SCHEMBL18171026 0.90 CHRNA7 (0.47) MAPTKDRCHRNA7KCNH2TNIK
Hydrochloric Acid SCHEMBL18170815 0.90 CHRNA7 (0.46) MAPTKDRCHRNA7KCNH2TNIK
SCHEMBL18170863 0.89 CHRNA7 (0.45) MAPTKDRCHRNA7KCNH2TNIK
SCHEMBL18171032 0.89 MAPT (0.46) MAPTLMNAKMT2AKDRALDH1A1
SCHEMBL18170770 0.88 MAPT (0.47) MAPTLMNAKMT2AKDRALDH1A1

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 MAPT 1133/4885MEN1 1064/4885LMNA 2694/4885

“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.