SCHEMBL18170701

SCHEMBL18170701

O=C(Nc1ccc(Br)c2c1C(=O)NC2)c1ccc(NCCN2CCCCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
EPHX2 P34913 1/20 0.40
TNIK Q9UKE5 1/20 0.40
NAMPT P43490 2/20 0.39
CHRNA7 P36544 2/20 0.39
KCNH2 Q12809 2/20 0.39
KDR P35968 1/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 2/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
CTNNB1 P35222 1/20 0.36
TCF7L2 Q9NQB0 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
SCHEMBL18170749 1.00 CYP1A2 (0.41) CYP1A2CYP2D6CYP2C9EPHX2TNIK
SCHEMBL18170436 0.99 EPHX2 (0.41) CYP1A2CYP2D6CYP2C9EPHX2TNIK
SCHEMBL18170500 0.94 CHRNA7 (0.45) CYP1A2CYP2D6CYP2C9EPHX2NAMPT
SCHEMBL18170745 0.94 CHRNA7 (0.44) EPHX2NAMPTCHRNA7KCNH2KDR
SCHEMBL18170864 0.90 EPHX2 (0.40) CYP1A2CYP2D6CYP2C9EPHX2TNIK
SCHEMBL18170541 0.86 KDR (0.45) CYP1A2CYP2D6CYP2C9EPHX2TNIK
SCHEMBL18170837 0.86 KDR (0.45) CYP1A2CYP2D6CYP2C9EPHX2TNIK
Hydrochloric Acid SCHEMBL18170880 0.85 KDR (0.44) CYP1A2CYP2D6CYP2C9EPHX2TNIK
SCHEMBL18170539 0.85 KDR (0.54) TNIKCHRNA7KCNH2KDRESRRG
SCHEMBL18170931 0.85 KDR (0.54) TNIKCHRNA7KCNH2KDRESRRG

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CYP1A2 3442/4885CYP2D6 4737/4885CYP2C9 4157/4885

“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.