SCHEMBL18170633

SCHEMBL18170633

COc1cccc(Nc2ccc(NC(=O)c3ccccc3)c3c2CNC3=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.56
RAB9A P51151 4/20 0.56
NLRP3 Q96P20 1/20 0.56
KDR P35968 2/20 0.55
KCNK9 Q9NPC2 2/20 0.51
KCNK3 O14649 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
TRPV1 Q8NER1 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
PDE4B Q07343 2/20 0.48
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
PKM P14618 1/20 0.47
GAA P10253 1/20 0.47
GFER P55789 1/20 0.47
HTT P42858 1/20 0.46
CYP1A2 P05177 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL18170682 0.94 RAB9A (0.56) NPC1RAB9ANLRP3KDRKCNK9
SCHEMBL18170574 0.89 F10 (0.51) NPC1RAB9AKDRKCNK9SMN1; SMN2
SCHEMBL18170578 0.89 NPC1 (0.53) NPC1RAB9AKDRKCNK9KMT2A
SCHEMBL18170560 0.88 KDR (0.69) KDRKCNK9KCNK3KMT2AMEN1
SCHEMBL18170485 0.86 KDR (0.58) KDRKCNK9KCNK3KMT2AMEN1
SCHEMBL18170963 0.85 KDR (0.55) NPC1RAB9AKDRKCNK9KCNK3
SCHEMBL18170789 0.84 KDR (0.62) NPC1RAB9ANLRP3KDRKCNK9
SCHEMBL18170912 0.83 KDR (0.49) NPC1RAB9AKDRKMT2AMEN1
SCHEMBL18170955 0.83 TERT (0.43) NPC1RAB9AKDRSMN1; SMN2TRPV1
SCHEMBL18170770 0.82 MAPT (0.47) NPC1RAB9AKDRSMN1; SMN2TRPV1

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 NPC1 2005/4885RAB9A 2823/4885NLRP3 1672/4885

“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.