SCHEMBL18170931

SCHEMBL18170931

O=C(Nc1ccc(-c2ccccc2)c2c1C(=O)NC2)c1ccc(NCCN2CCCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.54
TRPV1 Q8NER1 9/20 0.42
ESRRG P62508 2/20 0.42
CHRNA7 P36544 2/20 0.42
KCNH2 Q12809 2/20 0.42
TNIK Q9UKE5 1/20 0.41

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
SCHEMBL18170539 1.00 KDR (0.54) KDRTRPV1ESRRGCHRNA7KCNH2
SCHEMBL18170443 0.99 KDR (0.55) KDRTRPV1ESRRGCHRNA7KCNH2
SCHEMBL18170723 0.95 KDR (0.53) KDRTRPV1CHRNA7KCNH2
SCHEMBL18170491 0.94 KDR (0.53) KDRTRPV1CHRNA7KCNH2
SCHEMBL18170944 0.92 KDR (0.56) KDRTRPV1
SCHEMBL18170599 0.91 KDR (0.53) KDRTRPV1CHRNA7KCNH2
SCHEMBL18170814 0.90 KDR (0.46) KDRTRPV1ESRRGCHRNA7KCNH2
SCHEMBL18170541 0.89 KDR (0.45) KDRESRRGCHRNA7KCNH2TNIK
SCHEMBL18170837 0.89 KDR (0.45) KDRESRRGCHRNA7KCNH2TNIK
Hydrochloric Acid SCHEMBL18170880 0.88 KDR (0.44) KDRESRRGCHRNA7KCNH2TNIK

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 1662/4885TRPV1 1962/4885ESRRG 1718/4885

“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.