SCHEMBL16637053

SCHEMBL16637053

O=C(O)N1CCN(c2nc(CO)nc3c(F)c(Br)c(Cl)cc23)CC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KRAS P01116 13/20 0.35
EGFR P00533 1/20 0.34
HMOX2 P30519 1/20 0.34
CRYZ Q08257 1/20 0.34
VAT1 Q99536 1/20 0.34
RTN4 Q9NQC3 1/20 0.34
ABL1 P00519 5/20 0.33
BCR P11274 5/20 0.33
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GRM5 P41594 1/20 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
SCHEMBL16637205 0.87 ABL1 (0.39) KRASEGFRHMOX2CRYZVAT1
SCHEMBL16637243 0.86 TSHR (0.35) KRASEGFRHMOX2CRYZVAT1
SCHEMBL16636978 0.85 KCNH2 (0.42) TSHRHTTNPSR1HSD17B10
SCHEMBL29765922 0.85 KCNH2 (0.42) TSHRHTTNPSR1HSD17B10
SCHEMBL18128588 0.83 KRAS (0.36) KRAS
SCHEMBL18128529 0.83 NPSR1 (0.47) KRASEGFRHMOX2CRYZVAT1
SCHEMBL16637056 0.83 KRAS (0.36) KRASEGFRHMOX2CRYZVAT1
SCHEMBL16636873 0.83 GBA1 (0.36) KRASEGFRHMOX2CRYZVAT1
SCHEMBL18128662 0.80 KRAS (0.36) KRASEGFRHMOX2CRYZVAT1
SCHEMBL16637106 0.80 KRAS (0.51) KRASEGFRHMOX2CRYZVAT1

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 KRAS 1/4885EGFR 180/4885HMOX2 4456/4885
US-10927125-B2 Substituted cinnolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885EGFR 247/4885HMOX2 3757/4885
US-11878985-B2 Substituted quinazolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885EGFR 262/4885HMOX2 4165/4885
US-20200102321-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885EGFR 262/4885HMOX2 4165/4885
US-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885EGFR 262/4885HMOX2 4165/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885EGFR 180/4885HMOX2 4456/4885
US-10370386-B2 Substituted quinolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885EGFR 365/4885HMOX2 3796/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885EGFR 180/4885HMOX2 4456/4885
US-20240043441-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885EGFR 180/4885HMOX2 4456/4885
US-20230303586-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885EGFR 180/4885HMOX2 4456/4885

“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.