SCHEMBL18170879

SCHEMBL18170879

COc1ccc(-c2ccc(NC(=O)c3ccccc3)c3c2CNC3=O)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.56
SMN1; SMN2 Q16637 5/20 0.49
POLB P06746 1/20 0.49
TSHR P16473 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
AHR P35869 1/20 0.48
MAPT P10636 3/20 0.48
HTT P42858 1/20 0.48
MAPK1 P28482 1/20 0.47
CYP1A1 P04798 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP1B1 Q16678 1/20 0.47
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
NAMPT P43490 1/20 0.46
F10 P00742 1/20 0.44

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
SCHEMBL18170720 0.94 KDR (0.54) KDRSMN1; SMN2POLBTSHRMEN1
SCHEMBL18170648 0.91 KDR (0.56) KDRSMN1; SMN2TSHRMEN1KMT2A
SCHEMBL18170747 0.89 KDR (0.55) KDRSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL18170900 0.89 KDR (0.55) KDRSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL18170819 0.88 KDR (0.66) KDRKMT2ANPC1RAB9AMAPT
SCHEMBL18170789 0.87 KDR (0.62) KDRSMN1; SMN2POLBMEN1KMT2A
SCHEMBL18170768 0.87 KDR (0.62) KDRSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL18170488 0.86 KDR (0.59) KDRSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL18170711 0.86 KDR (0.54) KDRSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL18170505 0.85 KDR (0.60) KDRPOLBMEN1KMT2ANPC1

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 1662/4885SMN1; SMN2 878/4885POLB 2948/4885

“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.