SCHEMBL18170802

SCHEMBL18170802

O=C(Nc1ccc(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1C(=O)NC2)c1ccc(NCCN2CCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.46
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
TNIK Q9UKE5 1/20 0.38
MAPT P10636 1/20 0.38
KDR P35968 2/20 0.37
BRAF P15056 3/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HIF1A Q16665 1/20 0.36
EPAS1 Q99814 1/20 0.36
RAF1 P04049 2/20 0.36
ARAF P10398 2/20 0.36
SRPK2 P78362 1/20 0.36
SRPK1 Q96SB4 1/20 0.36
SRPK3 Q9UPE1 1/20 0.36
TERT O14746 1/20 0.36
TRPA1 O75762 1/20 0.36
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
HDAC3 O15379 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
SCHEMBL18170795 0.99 EPHX2 (0.46) EPHX2HTR2AHTR2CTNIKMAPT
SCHEMBL18170851 0.95 EPHX2 (0.43) EPHX2HTR2AHTR2CMAPTKDR
SCHEMBL18171016 0.94 EPHX2 (0.42) EPHX2HTR2AHTR2CMAPTKDR
SCHEMBL18170490 0.87 KDR (0.45) EPHX2TNIKKDR
SCHEMBL18170541 0.86 KDR (0.45) EPHX2TNIKKDR
SCHEMBL18170837 0.86 KDR (0.45) EPHX2TNIKKDR
Hydrochloric Acid SCHEMBL18170880 0.85 KDR (0.44) EPHX2TNIKKDR
SCHEMBL18170552 0.85 KDR (0.52) TNIKMAPTKDR
SCHEMBL18170953 0.84 KDR (0.51) TNIKMAPTKDR
SCHEMBL18170626 0.84 KDR (0.42) EPHX2TNIKMAPTKDR

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 4182/4885HTR2A 2979/4885HTR2C 2874/4885

“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.