SCHEMBL18170643

SCHEMBL18170643

COc1cccc(C(=O)Nc2ccc(-c3ccccc3)c3c2C(=O)NC3)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.62
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
POLB P06746 3/20 0.51
RAB9A P51151 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
NPC1 O15118 4/20 0.50
DYRK3 O43781 1/20 0.50
ROCK2 O75116 1/20 0.50
PRKD3 O94806 1/20 0.50
MAP4K4 O95819 1/20 0.50
NTRK1 P04629 1/20 0.50
LCK P06239 1/20 0.50
CDK1 P06493 1/20 0.50
FGFR1 P11362 1/20 0.50
RPS6KB1 P23443 1/20 0.50
MARK3 P27448 1/20 0.50
AXL P30530 1/20 0.50
FLT4 P35916 1/20 0.50
FLT3 P36888 1/20 0.50

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
SCHEMBL18170789 0.94 KDR (0.62) KDRMEN1KMT2APOLBRAB9A
SCHEMBL18170819 0.89 KDR (0.66) KDRKMT2ARAB9ANPC1MAPT
SCHEMBL18170505 0.89 KDR (0.60) KDRMEN1KMT2APOLBRAB9A
SCHEMBL18170768 0.88 KDR (0.62) KDRMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL18170566 0.88 KDR (0.75) KDRMEN1KMT2APOLBROCK2
SCHEMBL18171025 0.86 KDR (0.69) KDRMEN1KMT2ACLK2AURKB
SCHEMBL18170682 0.86 RAB9A (0.56) KDRMEN1KMT2APOLBRAB9A
SCHEMBL18170744 0.86 KDR (0.58) KDRMEN1KMT2APOLBCLK4
SCHEMBL18170592 0.85 KDR (0.64) KDRPOLBRAB9AAXLMAPT
SCHEMBL18170879 0.85 KDR (0.56) KDRMEN1KMT2APOLBRAB9A

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 1662/4885MEN1 1064/4885KMT2A 1369/4885

“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.