SCHEMBL18170795

SCHEMBL18170795

O=C(Nc1ccc(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1C(=O)NC2)c1ccc(NCCN2CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.46
TNIK Q9UKE5 1/20 0.40
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KDR P35968 2/20 0.37
MAPT P10636 1/20 0.37
SRPK2 P78362 1/20 0.37
SRPK1 Q96SB4 1/20 0.37
SRPK3 Q9UPE1 1/20 0.37
BRAF P15056 3/20 0.37
RAF1 P04049 2/20 0.37
ARAF P10398 2/20 0.37
CYP2C9 P11712 2/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 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
SCHEMBL18170802 0.99 EPHX2 (0.46) EPHX2TNIKHTR2AHTR2CRXFP1
SCHEMBL18171016 0.95 EPHX2 (0.42) EPHX2HTR2AHTR2CRXFP1KDR
SCHEMBL18170851 0.94 EPHX2 (0.43) EPHX2HTR2AHTR2CRXFP1KDR
SCHEMBL18170837 0.87 KDR (0.45) EPHX2TNIKKDRCYP2C9CYP1A2
SCHEMBL18170541 0.87 KDR (0.45) EPHX2TNIKKDRCYP2C9CYP1A2
Hydrochloric Acid SCHEMBL18170880 0.86 KDR (0.44) EPHX2TNIKKDRCYP2C9CYP1A2
SCHEMBL18170490 0.86 KDR (0.45) EPHX2TNIKKDRCYP2C9CYP1A2
SCHEMBL18170953 0.85 KDR (0.51) TNIKKDRMAPT
SCHEMBL18170631 0.85 ALDH1A1 (0.43) TNIKKDRMAPT
SCHEMBL18170552 0.84 KDR (0.52) TNIKKDRMAPT

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 4182/4885TNIK 1/4885HTR2A 2979/4885

“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.