SCHEMBL21542864

SCHEMBL21542864

C=C(C)c1ncnc(Cl)c1N

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
FFAR2 O15552 2/20 0.34
RAB9A P51151 1/20 0.33
GALR3 O60755 1/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
KMO O15229 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL21962407 0.85 FFAR2 (0.38) FFAR2LMNA
SCHEMBL21542758 0.78 FFAR2 (0.35) FFAR2LMNA
SCHEMBL29832003 0.77 GALR3 (0.35) HTTRAB9AGALR3GAAMAPT
SCHEMBL28855943 0.77 GALR3 (0.35) HTTRAB9AGALR3GAAMAPT
SCHEMBL41301 0.72
SCHEMBL22720430 0.71 NOS3 (0.32)
SCHEMBL29614779 0.71 NOS3 (0.32)
SCHEMBL25887298 0.68 FFAR2 (0.30) FFAR2
SCHEMBL28855951 0.68 ALDH1A1 (0.43) HTTRAB9AGAAMAPTLMNA
SCHEMBL21542912 0.68 FFAR2 (0.36) HTTFFAR2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250381187-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2025-12-18 US disclosed
US-12440491-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2025-10-14 US disclosed
US-12297208-B2 Small molecule inhibitors of KRAS G12C mutant MERCK SHARP & DOHME LLC (US) 2025-05-13 US disclosed
US-12291538-B2 Small molecule inhibitors of KRAS G12C mutant MERCK SHARP & DOHME LLC (US) 2025-05-06 US disclosed
US-12083121-B2 Substituted piperazines as KRAS G12C inhibitors AMGEN INC. (US) 2024-09-10 US disclosed
US-20240083913-A1 Small Molecule Inhibitors of KRAS G12C Mutant MERCK SHARP & DOHME LLC 2024-03-14 US disclosed
US-20240050430-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2024-02-15 US disclosed
US-20240043448-A1 Small Molecule Inhibitors of KRAS G12C Mutant MERCK SHARP & DOHME LLC 2024-02-08 US disclosed
CN-114867726-B Small molecule inhibitors of KRAS G12C mutants 默沙东有限责任公司 2023-11-28 CN disclosed
EP-3788038-B1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC (US) 2023-10-11 EP disclosed
US-20210130352-A1 OGA INHIBITOR COMPOUNDS JANSSEN-CILAG S.A. (ES) 2021-05-06 US disclosed
US-20210122764-A1 Small Molecule Inhibitors of KRAS G12C Mutant MERCK SHARP & DOHME LLC 2021-04-29 US disclosed
US-20210122764-A1 Small Molecule Inhibitors of KRAS G12C Mutant MERCK SHARP & DOHME LLC 2021-04-29 US disclosed
EP-3807276-A2 KRAS G12C INHIBITORS ENCOMPASSING A PIPERAZINE RING AND USE THEREOF IN THE TREATMENT OF CANCER Amgen Inc. (US) 2021-04-21 EP disclosed
WO-2021052499-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海济煜医药科技有限公司 2021-03-25 WO disclosed
EP-3788038-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME Amgen Inc. (US) 2021-03-10 EP disclosed
CN-112159405-A Pyridopyrimidinone compounds and application thereof 广州必贝特医药技术有限公司 2021-01-01 CN disclosed
WO-2019243533-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
US-20190343838-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2019-11-14 US disclosed
US-20190343838-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2019-11-14 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 (11 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-12297208-B2 Small molecule inhibitors of KRAS G12C mutant KRAS, NRAS, HRAS HTT 3295/4885FFAR2 4272/4885RAB9A 34/4885
US-20190343838-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS HTT 2514/4885FFAR2 4110/4885RAB9A 70/4885
US-20250381187-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS HTT 2514/4885FFAR2 4110/4885RAB9A 70/4885
US-12083121-B2 Substituted piperazines as KRAS G12C inhibitors KRAS, NRAS, HRAS HTT 2076/4885FFAR2 3322/4885RAB9A 143/4885
US-12440491-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS HTT 2514/4885FFAR2 4110/4885RAB9A 70/4885
US-20240050430-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS HTT 2514/4885FFAR2 4110/4885RAB9A 70/4885
US-20240083913-A1 Small Molecule Inhibitors of KRAS G12C Mutant KRAS, NRAS, HRAS HTT 3295/4885FFAR2 4272/4885RAB9A 34/4885
US-12291538-B2 Small molecule inhibitors of KRAS G12C mutant KRAS, NRAS, HRAS HTT 3295/4885FFAR2 4272/4885RAB9A 34/4885
US-20240043448-A1 Small Molecule Inhibitors of KRAS G12C Mutant KRAS, NRAS, HRAS HTT 3295/4885FFAR2 4272/4885RAB9A 34/4885
US-20210130352-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN HTT 33/4885FFAR2 4772/4885RAB9A 2809/4885
US-20210122764-A1 Small Molecule Inhibitors of KRAS G12C Mutant KRAS, NRAS, HRAS HTT 3476/4885FFAR2 4291/4885RAB9A 38/4885

“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.