SCHEMBL18170781

SCHEMBL18170781

N#Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)c3c2C(=O)NC3)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.58
MMP1 P03956 1/20 0.46
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 2/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
MEN1 O00255 2/20 0.40
CCKBR P32239 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
CASP3 P42574 1/20 0.39

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
SCHEMBL18171046 0.96 KDR (0.63) KDRMMP1CA12CA2CA9
SCHEMBL18171025 0.89 KDR (0.69) KDRCA12CA2CA9KMT2A
SCHEMBL18170558 0.89 KDR (0.60) KDRCA12CA2CA9KMT2A
SCHEMBL18170559 0.86 KDR (0.59) KDRGSK3B
SCHEMBL18170459 0.86 KDR (0.61) KDRCA12CA2CA9KMT2A
SCHEMBL18170664 0.86 KDR (0.61) KDRCA12CA2CA9KMT2A
SCHEMBL18170569 0.86 KDR (0.69) KDRCA12CA2CA9KMT2A
SCHEMBL18170779 0.84 KDR (0.62) KDRKMT2ARAB9ATP53KDM4E
SCHEMBL18170653 0.84 KDR (0.67) KDRCA12CA2CA9CASP3
SCHEMBL18170505 0.83 KDR (0.60) KDRKMT2ANPC1RAB9AMAPT

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 1662/4885MMP1 2940/4885CA12 2888/4885

“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.