SCHEMBL16637441

SCHEMBL16637441

O=C(O)N1CCN(c2ncnc3cc(-c4ccccc4F)c(C(F)(F)F)cc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.51
HPGD P15428 1/20 0.51
KRAS P01116 7/20 0.49
PDGFRB P09619 7/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 2/20 0.48
TSHR P16473 2/20 0.48
MAPK1 P28482 2/20 0.48
CYP2C19 P33261 2/20 0.48
HIF1A Q16665 2/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
CYP2D6 P10635 1/20 0.48
KMT2A Q03164 1/20 0.48
KIT P10721 1/20 0.47
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46

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
SCHEMBL16636593 0.89 KRAS (0.61) KRAS
SCHEMBL29765844 0.89 KRAS (0.61) KRAS
SCHEMBL16637953 0.87 KIT (0.52) CYP3A4HPGDKRASPDGFRBALDH1A1
SCHEMBL29765722 0.87 KIT (0.52) CYP3A4HPGDKRASPDGFRBALDH1A1
SCHEMBL29765827 0.81 KRAS (0.63) CYP3A4HPGDKRASALDH1A1CYP1A2
SCHEMBL16647054 0.81 KRAS (0.63) CYP3A4HPGDKRASALDH1A1CYP1A2
SCHEMBL16637244 0.80 KRAS (0.52) CYP3A4HPGDKRASPDGFRB
SCHEMBL16647090 0.79 KRAS (0.62) KRAS
SCHEMBL25804717 0.78 ACHE (0.56) KRASPDGFRBALDH1A1KITCNR2
SCHEMBL16647218 0.78 KRAS (0.61) KRAS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240043441-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2024-02-08 US disclosed
US-11878985-B2 Substituted quinazolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2024-01-23 US disclosed
US-20230303586-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-09-28 US disclosed
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
EP-3636639-A1 INHIBITORS OF KRAS G12C Araxes Pharma LLC (US) 2020-04-15 EP disclosed
US-20200102321-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2020-04-02 US disclosed
EP-3055290-B1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2019-10-02 EP disclosed
US-10370386-B2 Substituted quinolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2019-08-06 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
EP-3055290-A1 INHIBITORS OF KRAS G12C Araxes Pharma LLC (US) 2016-08-17 EP disclosed
US-20150239900-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2015-08-27 US disclosed
WO-2015054572-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2015-04-16 WO 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-20210188869-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CYP3A4 3708/4885HPGD 4095/4885KRAS 1/4885
US-10927125-B2 Substituted cinnolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS CYP3A4 2580/4885HPGD 3796/4885KRAS 1/4885
US-11878985-B2 Substituted quinazolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS CYP3A4 2066/4885HPGD 3845/4885KRAS 1/4885
US-20200102321-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CYP3A4 2066/4885HPGD 3845/4885KRAS 1/4885
US-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CYP3A4 2066/4885HPGD 3845/4885KRAS 1/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CYP3A4 3708/4885HPGD 4095/4885KRAS 1/4885
US-10370386-B2 Substituted quinolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS CYP3A4 2137/4885HPGD 3945/4885KRAS 1/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CYP3A4 3708/4885HPGD 4095/4885KRAS 1/4885
US-20240043441-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CYP3A4 3708/4885HPGD 4095/4885KRAS 1/4885
US-20230303586-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CYP3A4 3708/4885HPGD 4095/4885KRAS 1/4885

“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.