SCHEMBL20988697

SCHEMBL20988697

CCc1ccnc(NC(=O)OC)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIOK2 Q9BVS4 1/20 0.54
PKM P14618 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
NR3C2 P08235 10/20 0.50
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
TYK2 P29597 1/20 0.49
PIK3C3 Q8NEB9 2/20 0.48
ALDH1A1 P00352 1/20 0.44
MAPK10 P53779 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
AAK1 Q2M2I8 1/20 0.43

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
SCHEMBL20305452 0.86 JAK2 (0.51) NR3C2JAK2JAK1TYK2PIK3C3
SCHEMBL21348776 0.86 RIOK2 (0.48) RIOK2PKMMEN1KMT2ANR3C2
SCHEMBL15354529 0.85 RIOK2 (0.50) RIOK2PKMMEN1KMT2ANR3C2
SCHEMBL3846440 0.84 RIOK2 (0.49) RIOK2PKMMEN1KMT2ANR3C2
SCHEMBL91333 0.83 RIOK2 (0.57) RIOK2PKMMEN1KMT2ANR3C2
SCHEMBL2619305 0.82 RIOK2 (0.63) RIOK2PKMMEN1KMT2ANR3C2
SCHEMBL29166048 0.82 NR3C2 (0.52) NR3C2JAK2JAK1TYK2PIK3C3
SCHEMBL13180241 0.81 PKM (0.64) RIOK2PKMMEN1KMT2ANR3C2
SCHEMBL20889616 0.79 PKM (0.59) RIOK2PKMMEN1KMT2ANR3C2
SCHEMBL13180243 0.79 RIOK2 (0.60) RIOK2PKMMEN1KMT2ANR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-11-09 US disclosed
US-20230257352-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-08-17 US disclosed
US-20190134012-A1 COMPOUNDS AND COMPOSITIONS FOR INDUCING CHONDROGENESIS NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC. DBA THE GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION (GNF) 2019-05-09 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 (3 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-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF RIOK2 141/4885PKM 1352/4885MEN1 2696/4885
US-20230257352-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF RIOK2 141/4885PKM 1352/4885MEN1 2696/4885
US-20190134012-A1 COMPOUNDS AND COMPOSITIONS FOR INDUCING CHONDROGENESIS FGF1, COL2A1, FGFR3 RIOK2 3391/4885PKM 2878/4885MEN1 2384/4885

“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.