SCHEMBL18171016

SCHEMBL18171016

O=C(Nc1ccc(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1C(=O)NC2)c1ccc(NCCCN2CCCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.42
CHRNA7 P36544 6/20 0.41
KCNH2 Q12809 6/20 0.41
MAPT P10636 2/20 0.41
BRAF P15056 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
NAMPT P43490 2/20 0.37
KDR P35968 1/20 0.36
SRPK2 P78362 1/20 0.36
SRPK1 Q96SB4 1/20 0.36
SRPK3 Q9UPE1 1/20 0.36

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
SCHEMBL18170851 0.99 EPHX2 (0.43) EPHX2CHRNA7KCNH2MAPTBRAF
SCHEMBL18170795 0.95 EPHX2 (0.46) EPHX2MAPTBRAFHTR2AHTR2C
SCHEMBL18170802 0.94 EPHX2 (0.46) EPHX2MAPTBRAFHTR2AHTR2C
SCHEMBL18171026 0.88 CHRNA7 (0.47) CHRNA7KCNH2MAPTNAMPTKDR
Hydrochloric Acid SCHEMBL18170815 0.87 CHRNA7 (0.46) CHRNA7KCNH2MAPTNAMPTKDR
SCHEMBL18170863 0.87 CHRNA7 (0.45) CHRNA7KCNH2MAPTNAMPTKDR
SCHEMBL18170761 0.86 KDR (0.50) CHRNA7KCNH2MAPTKDR
SCHEMBL18170930 0.85 MAPT (0.45) CHRNA7KCNH2MAPTKDR
SCHEMBL18170508 0.85 KDR (0.51) CHRNA7KCNH2MAPTKDR
SCHEMBL18170823 0.84 MAPT (0.46) CHRNA7KCNH2MAPTKDR

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 EPHX2 4182/4885CHRNA7 2197/4885KCNH2 2704/4885

“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.