SCHEMBL18171046

SCHEMBL18171046

N#Cc1ccc(-c2ccc(NC(=O)c3ccccc3)c3c2CNC3=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.63
MMP1 P03956 1/20 0.43
KMT2A Q03164 3/20 0.42
CASP3 P42574 1/20 0.41
MEN1 O00255 2/20 0.40
F2 P00734 1/20 0.40
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
KLKB1 P03952 1/20 0.40
PRSS1 P07477 1/20 0.40
MMP14 P50281 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.39
GAK O14976 1/20 0.39
STK16 O75716 1/20 0.39
PIM1 P11309 1/20 0.39
AXL P30530 1/20 0.39
NEK2 P51955 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
SCHEMBL18170781 0.96 KDR (0.58) KDRMMP1KMT2ACASP3MEN1
SCHEMBL18171025 0.89 KDR (0.69) KDRKMT2ACASP3MEN1MMP14
SCHEMBL18170558 0.89 KDR (0.60) KDRKMT2ACASP3F2PLG
SCHEMBL18171021 0.86 KDR (0.75) KDRCASP3PIM1AXLSTK3
SCHEMBL18170598 0.86 KDR (0.66) KDRKMT2ACASP3MEN1MMP14
SCHEMBL18170451 0.86 KDR (0.66) KDRKMT2ACASP3MEN1KDM4E
SCHEMBL18170642 0.85 KDR (0.55) KDRKMT2ACASP3MEN1MMP14
SCHEMBL18170695 0.85 KDR (0.68) KDRKMT2ACASP3MEN1MMP14
SCHEMBL18170725 0.84 KDR (0.64) KDRKMT2ACASP3MEN1F2
SCHEMBL18170559 0.84 KDR (0.59) KDRPIM1STK3

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 2940/4885KMT2A 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.