SCHEMBL18170436

SCHEMBL18170436

O=C(Nc1ccc(Br)c2c1C(=O)NC2)c1ccc(NCCN2CCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
KDR P35968 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TNIK Q9UKE5 1/20 0.39
NAMPT P43490 2/20 0.39
CHRNA7 P36544 1/20 0.38
KCNH2 Q12809 1/20 0.38
ALDH1A1 P00352 4/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CTNNB1 P35222 1/20 0.37
TCF7L2 Q9NQB0 1/20 0.37
PARP1 P09874 1/20 0.36
MAPT P10636 2/20 0.36
ESR1 P03372 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
SCHEMBL18170701 0.99 CYP1A2 (0.41) EPHX2KDRCYP1A2CYP2D6CYP2C9
SCHEMBL18170749 0.99 CYP1A2 (0.41) EPHX2KDRCYP1A2CYP2D6CYP2C9
SCHEMBL18170745 0.94 CHRNA7 (0.44) EPHX2KDRNAMPTCHRNA7KCNH2
SCHEMBL18170500 0.94 CHRNA7 (0.45) EPHX2KDRCYP1A2CYP2D6CYP2C9
SCHEMBL18170864 0.91 EPHX2 (0.40) EPHX2CYP1A2CYP2D6CYP2C9TNIK
SCHEMBL18170479 0.86 KDR (0.40) EPHX2KDRCYP1A2CYP2D6CYP2C9
SCHEMBL18170490 0.86 KDR (0.45) EPHX2KDRCYP1A2CYP2D6CYP2C9
SCHEMBL18170468 0.86 EPHX2 (0.39) EPHX2KDRCYP1A2CYP2D6CYP2C9
SCHEMBL18170443 0.85 KDR (0.55) KDRTNIKCHRNA7KCNH2PARP1
SCHEMBL18170541 0.85 KDR (0.45) EPHX2KDRCYP1A2CYP2D6CYP2C9

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 EPHX2 4182/4885KDR 1662/4885CYP1A2 3442/4885

“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.