SCHEMBL3397171

SCHEMBL3397171

COc1cccc(C(=O)Nc2cnc(Nc3ccccc3)s2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.69
MAPK12 P53778 1/20 0.69
MAPK11 Q15759 1/20 0.69
MAPK14 Q16539 1/20 0.69
NPC1 O15118 6/20 0.62
RAB9A P51151 6/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
KCNK3 O14649 1/20 0.59
KCNK9 Q9NPC2 1/20 0.59
ALDH1A1 P00352 3/20 0.58
CCNA2 P20248 1/20 0.56
CDK2 P24941 1/20 0.56
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
POLB P06746 1/20 0.56
KCNQ3 O43525 1/20 0.56
KCNQ2 O43526 1/20 0.56
NLRP3 Q96P20 1/20 0.55
DHODH Q02127 1/20 0.54
RXFP1 Q9HBX9 1/20 0.53

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
SCHEMBL3394933 0.87 CSNK2A2 (0.60) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL3390828 0.85 MEN1 (0.56) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL3397155 0.81 CSNK2A2 (0.60) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL3398669 0.78 CSNK2A2 (0.49) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL5226157 0.78 NPC1 (1.00) NPC1RAB9ASMN1; SMN2KCNK3KCNK9
SCHEMBL2366966 0.78 TNIK (0.67) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL3396818 0.77 CSNK2A2 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL5633679 0.77 MAPK13 (0.87) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL3393541 0.77 CACNA1B (0.56) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL3392231 0.76 MEN1 (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216795-A1 TNIK INHIBITOR AND THE USE YAMADA TESSHI 2010-08-26 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-20100216795-A1 TNIK INHIBITOR AND THE USE TNIK, TNNI3K, TNK1 MAPK13 746/4885MAPK12 541/4885MAPK11 878/4885

“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.