SCHEMBL17030740

SCHEMBL17030740

CNc1ccc(C)c(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.40
ALDH1A1 P00352 5/20 0.33
CYP1A2 P05177 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
GAA P10253 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
AR P10275 1/20 0.33
LMNA P02545 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
KIF11 P52732 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
POLB P06746 2/20 0.32
CA2 P00918 1/20 0.32
TYR P14679 1/20 0.32
TSHR P16473 2/20 0.32
EGFR P00533 2/20 0.32
MAPT P10636 2/20 0.32

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
SCHEMBL10227623 0.83 NR1H4 (0.36) NR1H4ALDH1A1CYP1A2TDP1GAA
SCHEMBL20205053 0.81 TAS2R14 (0.49) CYP1A2ARLMNATAS2R14KIF11
SCHEMBL24510905 0.77 TAS2R14 (0.40) NR1H4ALDH1A1CYP1A2GAACYP2C9
SCHEMBL13528293 0.77 AR (0.40) NR1H4ALDH1A1TDP1GAAAR
SCHEMBL8060147 0.77 NR1H4 (0.60) NR1H4ALDH1A1CYP1A2TDP1GAA
SCHEMBL22592369 0.76 ALDH1A1 (0.38) NR1H4ALDH1A1TDP1GAALMNA
SCHEMBL21959216 0.75 PDE2A (0.38) CYP1A2GAASMN1; SMN2MAPTRAPGEF4
SCHEMBL20865385 0.75 ALDH1A1 (0.61) NR1H4ALDH1A1TDP1GAASMN1; SMN2
SCHEMBL13698101 0.75 CYP17A1 (0.48) ALDH1A1LMNAKIF11SMN1; SMN2CA2
SCHEMBL2092210 0.74 POLB (0.50) ALDH1A1CYP1A2GAACYP2C9CYP2C19

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 18 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-20230183218-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2023-06-15 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-10017492-B2 Isoindoline derivative, intermediate, preparation method, pharmaceutical composition and use thereof KANGPU BIOPHARMACEUTICALS, LTD. (CN) 2018-07-10 US disclosed
US-10011600-B2 Methods and compositions for inhibition of Ras ARAXES PHARMA LLC (US) 2018-07-03 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-20170313676-A1 ISOINDOLINE DERIVATIVE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF KANGPU BIOPHARMACEUTICALS, LTD. (CN) 2017-11-02 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 (15 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 NR1H4 2871/4885ALDH1A1 3979/4885CYP1A2 4035/4885
US-20230183218-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM3, CHRM2, CHRM4 NR1H4 324/4885ALDH1A1 1810/4885CYP1A2 2399/4885
US-20210188869-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS NR1H4 1544/4885ALDH1A1 4178/4885CYP1A2 3408/4885
US-10927125-B2 Substituted cinnolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS NR1H4 2350/4885ALDH1A1 2326/4885CYP1A2 1836/4885
US-20200102321-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS NR1H4 2007/4885ALDH1A1 4009/4885CYP1A2 1845/4885
US-20190127336-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE NRAS, KRAS, HRAS NR1H4 2974/4885ALDH1A1 4436/4885CYP1A2 4517/4885
US-10017492-B2 Isoindoline derivative, intermediate, preparation method, pharmaceutical composition and use thereof IL2, IL1B, IL5 NR1H4 1209/4885ALDH1A1 487/4885CYP1A2 40/4885
US-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS NR1H4 2007/4885ALDH1A1 4009/4885CYP1A2 1845/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS NR1H4 1544/4885ALDH1A1 4178/4885CYP1A2 3408/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS NR1H4 1544/4885ALDH1A1 4178/4885CYP1A2 3408/4885
US-20190262342-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS NR1H4 1397/4885ALDH1A1 1577/4885CYP1A2 4679/4885
US-20170313676-A1 ISOINDOLINE DERIVATIVE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF IL2, IL1B, IL5 NR1H4 1209/4885ALDH1A1 487/4885CYP1A2 40/4885
US-10822312-B2 Substituted quinazoline compounds and methods of use NRAS, KRAS, HRAS NR1H4 1336/4885ALDH1A1 3027/4885CYP1A2 3308/4885
US-10011600-B2 Methods and compositions for inhibition of Ras KRAS, NRAS, HRAS NR1H4 2871/4885ALDH1A1 3979/4885CYP1A2 4035/4885
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS NR1H4 1397/4885ALDH1A1 1577/4885CYP1A2 4679/4885

“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.