SCHEMBL18170491

SCHEMBL18170491

O=C(Nc1ccc(-c2ccccc2)c2c1C(=O)NC2)c1ccc(NCCCN2CCCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.53
CHRNA7 P36544 4/20 0.47
KCNH2 Q12809 4/20 0.47
HDAC1 Q13547 1/20 0.45
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
NAMPT P43490 1/20 0.41
BACE1 P56817 1/20 0.40
TRPV1 Q8NER1 5/20 0.40
MAPT P10636 1/20 0.40
HTR3A P46098 1/20 0.40

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
SCHEMBL18170723 0.99 KDR (0.53) KDRCHRNA7KCNH2HDAC1PIK3CD
SCHEMBL18170443 0.95 KDR (0.55) KDRCHRNA7KCNH2HDAC1TRPV1
SCHEMBL18170931 0.94 KDR (0.54) KDRCHRNA7KCNH2TRPV1
SCHEMBL18170539 0.94 KDR (0.54) KDRCHRNA7KCNH2TRPV1
SCHEMBL18170801 0.93 KDR (0.54) KDRCHRNA7KCNH2HDAC1PIK3CD
SCHEMBL18170787 0.93 PIK3CD (0.52) KDRCHRNA7KCNH2PIK3CDPIK3CA
SCHEMBL18170863 0.89 CHRNA7 (0.45) KDRCHRNA7KCNH2HDAC1PIK3CD
SCHEMBL18170716 0.88 KDR (0.59) KDRHDAC1PIK3CDPIK3CAPIK3CB
SCHEMBL18171026 0.88 CHRNA7 (0.47) KDRCHRNA7KCNH2HDAC1NAMPT
SCHEMBL18170944 0.88 KDR (0.56) KDRHDAC1TRPV1

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 KDR 1662/4885CHRNA7 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.