SCHEMBL17030770

SCHEMBL17030770

CC(C)(C)c1c(Cl)ccc2cn[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 5/20 0.50
▸ MAPT P10636 2/20 0.43
▸ DYRK1A Q13627 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ FGFR1 P11362 2/20 0.33
▸ PLK4 O00444 1/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ DAPK3 O43293 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ RET P07949 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ LTK P29376 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ MAP2K2 P36507 1/20 0.33
▸ FLT3 P36888 1/20 0.33

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
SCHEMBL20341622 0.82 NOS1 (0.44) NOS1MAPTDYRK1AALDH1A1HTT
SCHEMBL22793062 0.80 MAPT (0.44) NOS1MAPTDYRK1AALDH1A1HTT
SCHEMBL17030767 0.80 MAPT (0.58) NOS1MAPTALDH1A1HTTKMT2A
SCHEMBL18133834 0.79 MAPT (0.43) NOS1MAPTDYRK1AALDH1A1HTT
SCHEMBL21733576 0.79 MAPT (0.43) NOS1MAPTDYRK1AALDH1A1HTT
SCHEMBL16646936 0.76 NOS1 (0.55) NOS1MAPTDYRK1AALDH1A1HTT
SCHEMBL14093003 0.75 NOS1 (0.46) NOS1MAPTDYRK1AALDH1A1HTT
SCHEMBL22560899 0.72 NOS1 (0.55) NOS1MAPTDYRK1AALDH1A1HTT
SCHEMBL34465024 0.72 NOS1 (0.55) NOS1MAPTDYRK1AALDH1A1HTT
SCHEMBL18133835 0.71 NOS1 (0.50) NOS1DYRK1AAURKATRPA1METAP2

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 14 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-10822312-B2 Substituted quinazoline compounds and methods of use ARAXES PHARMA LLC (US) 2020-11-03 — — 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-20190127336-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE ARAXES PHARMA, LLC 2019-05-02 — — 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-20170247376-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF RAS ARAXES PHARMA LLC (US) 2017-08-31 — — US disclosed
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC 2016-06-16 — — 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 (12 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 NOS1 3741/4885MAPT 3744/4885DYRK1A 3613/4885
US-20210188869-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS NOS1 4325/4885MAPT 279/4885DYRK1A 219/4885
US-10927125-B2 Substituted cinnolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS NOS1 3939/4885MAPT 999/4885DYRK1A 406/4885
US-20200102321-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS NOS1 4139/4885MAPT 761/4885DYRK1A 113/4885
US-20190127336-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE NRAS, KRAS, HRAS NOS1 4504/4885MAPT 4773/4885DYRK1A 2609/4885
US-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS NOS1 4139/4885MAPT 761/4885DYRK1A 113/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS NOS1 4325/4885MAPT 279/4885DYRK1A 219/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS NOS1 4325/4885MAPT 279/4885DYRK1A 219/4885
US-20190262342-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS NOS1 4598/4885MAPT 4271/4885DYRK1A 4308/4885
US-10822312-B2 Substituted quinazoline compounds and methods of use NRAS, KRAS, HRAS NOS1 4386/4885MAPT 4801/4885DYRK1A 4093/4885
US-10011600-B2 Methods and compositions for inhibition of Ras KRAS, NRAS, HRAS NOS1 3741/4885MAPT 3744/4885DYRK1A 3613/4885
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS NOS1 4598/4885MAPT 4271/4885DYRK1A 4308/4885

“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.

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