SCHEMBL17030757

SCHEMBL17030757

CC(C)(C)c1cccc2onc(N)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.50
FLT3 P36888 10/20 0.50
KIT P10721 10/20 0.50
AURKB Q96GD4 7/20 0.49
MAP4K4 O95819 2/20 0.49
PDGFRB P09619 2/20 0.49
PIM1 P11309 2/20 0.49
FGFR1 P11362 2/20 0.49
PDGFRA P16234 2/20 0.49
PRKACA P17612 2/20 0.49
LTK P29376 2/20 0.49
GRK5 P34947 2/20 0.49
CDK8 P49336 2/20 0.49
CDK7 P50613 2/20 0.49
CDK9 P50750 2/20 0.49
LIMK1 P53667 2/20 0.49
MAP2K1 Q02750 2/20 0.49
ACVR1 Q04771 2/20 0.49
MST1R Q04912 2/20 0.49
MAP4K2 Q12851 2/20 0.49

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
SCHEMBL15907820 0.86 KDR (0.47) KDRFLT3KITAURKBMAP4K4
SCHEMBL21609072 0.82 KDR (0.50) KDRFLT3KITAURKBMAP4K4
SCHEMBL13305129 0.80 KCNA5 (0.38) KDRFLT3KITAURKBMAP4K4
SCHEMBL20963390 0.79 KDR (0.47) KDRFLT3KITAURKBMAP4K4
SCHEMBL25592125 0.76 KCNA5 (0.35) KDRFLT3KITAURKBMAP4K4
SCHEMBL16646799 0.76 KDR (0.57) KDRFLT3KITAURKBMAP4K4
SCHEMBL2445430 0.75 KDR (0.58) KDRFLT3KITAURKBMAP4K4
Hydrochloric Acid SCHEMBL5103456 0.73 KDR (0.56) KDRFLT3KITAURKBMAP4K4
SCHEMBL26190221 0.72 CA2 (0.48) CA2
SCHEMBL31605557 0.72 KDR (0.54) KDRFLT3KITAURKBMAP4K4

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 11 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
US-20210188869-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2021-06-24 US disclosed
US-10927125-B2 Substituted cinnolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2021-02-23 US disclosed
US-20200102321-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2020-04-02 US disclosed
US-20190262342-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC 2019-08-29 US disclosed
US-10370386-B2 Substituted quinolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2019-08-06 US disclosed
US-10011600-B2 Methods and compositions for inhibition of Ras ARAXES PHARMA LLC (US) 2018-07-03 US disclosed
US-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2018-05-03 US disclosed
US-9840516-B2 Substituted quinazolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2017-12-12 US disclosed
US-20170247376-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF RAS ARAXES PHARMA LLC (US) 2017-08-31 US disclosed
US-20150239900-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2015-08-27 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 (10 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-20170247376-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF RAS KRAS, NRAS, HRAS KDR 4400/4885FLT3 3765/4885KIT 1512/4885
US-20210188869-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KDR 3005/4885FLT3 1335/4885KIT 4380/4885
US-10927125-B2 Substituted cinnolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS KDR 2655/4885FLT3 1817/4885KIT 3011/4885
US-20200102321-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KDR 2196/4885FLT3 536/4885KIT 3330/4885
US-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KDR 2196/4885FLT3 536/4885KIT 3330/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KDR 3005/4885FLT3 1335/4885KIT 4380/4885
US-10370386-B2 Substituted quinolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS KDR 2390/4885FLT3 618/4885KIT 3633/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KDR 3005/4885FLT3 1335/4885KIT 4380/4885
US-20190262342-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS KDR 480/4885FLT3 363/4885KIT 2636/4885
US-10011600-B2 Methods and compositions for inhibition of Ras KRAS, NRAS, HRAS KDR 4400/4885FLT3 3765/4885KIT 1512/4885

“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.