SCHEMBL13305129

SCHEMBL13305129

Cc1noc2cccc(C(C)(C)C)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 5/20 0.38
CA2 P00918 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
KDR P35968 2/20 0.36
FLT3 P36888 2/20 0.36
CHEK1 O14757 1/20 0.36
MAP4K4 O95819 1/20 0.36
ABL1 P00519 1/20 0.36
NTRK1 P04629 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
CSF1R P07333 1/20 0.36
MET P08581 1/20 0.36
PDGFRB P09619 1/20 0.36
PIM1 P11309 1/20 0.36
FGFR1 P11362 1/20 0.36
PDGFRA P16234 1/20 0.36
PRKACA P17612 1/20 0.36
LTK P29376 1/20 0.36

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
SCHEMBL17278412 0.86 KCNA5 (0.39) KCNA5CA2GABRA1GABRB2KDR
SCHEMBL17030757 0.80 KDR (0.50) KCNA5CA2KDRFLT3CHEK1
SCHEMBL25592125 0.77 KCNA5 (0.35) KCNA5CA2GABRA1GABRB2KDR
SCHEMBL8404487 0.76 CYP1A2 (0.41) KDRFLT3CHEK1MAP4K4ABL1
SCHEMBL27176591 0.76 P2RX7 (0.36) KCNA5KDRFLT3AURKBKIT
SCHEMBL26190221 0.73 CA2 (0.48) CA2GABRA1GABRB2ALDH1A1NPSR1
SCHEMBL3195416 0.73 KCNA5 (0.46) KCNA5KDRFLT3CHEK1MAP4K4
SCHEMBL29314341 0.73 KDR (0.38) KCNA5KDRFLT3CHEK1MAP4K4
SCHEMBL21783714 0.73 KDR (0.45) KDRFLT3CHEK1MAP4K4ABL1
SCHEMBL21807299 0.73 KDR (0.38) KDRFLT3CHEK1MAP4K4ABL1

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-20230212183-A9 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-07-06 US disclosed
WO-2023088406-A1 FUSED IMIDE DERIVATIVE 正大天晴药业集团股份有限公司 2023-05-25 WO disclosed
US-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2018-05-03 US disclosed
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC 2016-06-16 US disclosed
US-20100160292-A1 Kinase Inhibitors, and Methods of Using and Identifying Kinase Inhibitors CGI PHARMACEUTICALS, INC (US) 2010-06-24 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 (4 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-20100160292-A1 Kinase Inhibitors, and Methods of Using and Identifying Kinase Inhibitors BTK, LYN, LCK KCNA5 2786/4885CA2 3080/4885GABRA1 2385/4885
US-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KCNA5 3260/4885CA2 1657/4885GABRA1 4063/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KCNA5 3396/4885CA2 1729/4885GABRA1 3618/4885
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS KCNA5 4779/4885CA2 2496/4885GABRA1 4349/4885

“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.