SCHEMBL18170748

SCHEMBL18170748

O=C(Nc1ccc(-c2cccc3ncccc23)c2c1C(=O)NC2)c1ccc(NCCN2CCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.42
HRH3 Q9Y5N1 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
MEN1 O00255 2/20 0.38
PABPC1 P11940 2/20 0.38
KMT2A Q03164 2/20 0.38
EIF4H Q15056 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PARP1 P09874 2/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
TRPV1 Q8NER1 2/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
TNIK Q9UKE5 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTNNB1 P35222 1/20 0.36
TCF7L2 Q9NQB0 1/20 0.36
MAP4K1 Q92918 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
SCHEMBL18170615 0.95 HRH3 (0.45) KDRHRH3PARP1OPRM1OPRD1
SCHEMBL18170790 0.86 KDR (0.41) KDRPARP1OPRM1OPRD1OPRK1
SCHEMBL18170885 0.86 KDR (0.40) KDRPARP1TNIKCTNNB1TCF7L2
SCHEMBL18170614 0.86 KDR (0.40) KDRPARP1TNIKCTNNB1TCF7L2
SCHEMBL18170703 0.85 KDR (0.43) KDRPARP1OPRM1OPRD1OPRK1
SCHEMBL18170565 0.85 KDR (0.44) KDRTNIKCTNNB1TCF7L2
SCHEMBL18170501 0.85 KDR (0.46) KDRPABPC1TRPV1TMEM97SIGMAR1
Hydrochloric Acid SCHEMBL18170910 0.84 KDR (0.44) KDRTNIKCTNNB1TCF7L2
SCHEMBL18170449 0.83 CYP1A2 (0.47) KDRHDAC6MEN1PABPC1KMT2A
SCHEMBL18170443 0.83 KDR (0.55) KDRPARP1TRPV1TNIK

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 1662/4885HRH3 3509/4885HDAC6 1471/4885

“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.