SCHEMBL16637205

SCHEMBL16637205

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 8/20 0.39
BCR P11274 8/20 0.39
KRAS P01116 11/20 0.36
EGFR P00533 1/20 0.36
HMOX2 P30519 1/20 0.36
CRYZ Q08257 1/20 0.36
VAT1 Q99536 1/20 0.36
RTN4 Q9NQC3 1/20 0.36
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL29779577 0.87 KRAS (0.38) ABL1BCRKRAS
SCHEMBL16637056 0.87 KRAS (0.36) ABL1BCRKRASEGFRHMOX2
SCHEMBL16637053 0.87 KRAS (0.35) ABL1BCRKRASEGFRHMOX2
SCHEMBL18128529 0.87 NPSR1 (0.47) ABL1BCRKRASEGFRHMOX2
SCHEMBL16636873 0.87 GBA1 (0.36) ABL1BCRKRASEGFRHMOX2
SCHEMBL29409403 0.84 KCNH2 (0.42) TSHRHTTNPSR1HSD17B10
SCHEMBL16637001 0.84 KCNH2 (0.42) TSHRHTTNPSR1HSD17B10
SCHEMBL29057205 0.84 KRAS (0.38) ABL1BCRKRAS
SCHEMBL16637106 0.84 KRAS (0.51) KRASEGFRHMOX2CRYZVAT1
SCHEMBL19422066 0.83 SMN1; SMN2 (0.47) HTT

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12234244-B2 Substituted piperazines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2025-02-25 US disclosed
US-20240352028-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2024-10-24 US disclosed
US-20240043441-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2024-02-08 US disclosed
US-20240025916-A1 KRAS G12C INHIBITORS ELI LILLY AND COMPANY 2024-01-25 US disclosed
US-11878985-B2 Substituted quinazolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2024-01-23 US disclosed
US-20230339968-A1 KRAS Gl2C INHIBITORS ELI LILLY AND COMPANY 2023-10-26 US disclosed
EP-4255912-A1 TRICYCLIC KRAS G12C INHIBITORS Eli Lilly and Company (US) 2023-10-11 EP disclosed
US-11731984-B2 KRas G12C inhibitors ELI LILLY AND COMPANY (US) 2023-08-22 US disclosed
US-20230212183-A9 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-07-06 US disclosed
US-20220242875-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2022-08-04 US disclosed
US-10246424-B2 Substituted quinazoline compounds and methods of use thereof ARAXES PHARMA LLC (US) 2019-04-02 US disclosed
US-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2018-05-03 US disclosed
EP-3280708-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF Araxes Pharma LLC (US) 2018-02-14 EP disclosed
US-9840516-B2 Substituted quinazolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2017-12-12 US disclosed
WO-2017172979-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE ARAXES PHARMA LLC (US) 2017-10-05 WO disclosed
WO-2016164675-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC (US) 2016-10-13 WO disclosed
US-20160297774-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2016-10-13 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 (13 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-20230339968-A1 KRAS Gl2C INHIBITORS KRAS, NRAS, GLS2 ABL1 235/4885BCR 920/4885KRAS 1/4885
US-12234244-B2 Substituted piperazines as inhibitors of KRAS G12C KRAS, NRAS, HRAS ABL1 67/4885BCR 161/4885KRAS 1/4885
US-11731984-B2 KRas G12C inhibitors KRAS, NRAS, HRAS ABL1 52/4885BCR 129/4885KRAS 1/4885
US-20240025916-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS ABL1 52/4885BCR 139/4885KRAS 1/4885
US-10246424-B2 Substituted quinazoline compounds and methods of use thereof KRAS, NRAS, HRAS ABL1 99/4885BCR 613/4885KRAS 1/4885
US-11878985-B2 Substituted quinazolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS ABL1 82/4885BCR 525/4885KRAS 1/4885
US-20160297774-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS ABL1 99/4885BCR 613/4885KRAS 1/4885
US-20240352028-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ABL1 82/4885BCR 525/4885KRAS 1/4885
US-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ABL1 82/4885BCR 525/4885KRAS 1/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ABL1 216/4885BCR 449/4885KRAS 1/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ABL1 216/4885BCR 449/4885KRAS 1/4885
US-20240043441-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ABL1 216/4885BCR 449/4885KRAS 1/4885
US-20220242875-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ABL1 216/4885BCR 449/4885KRAS 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.