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Sugi Predict / Compounds / SCHEMBL16637082

SCHEMBL16637082

SCHEMBL16637082

CN(C)CCNc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)c2cc(Cl)c(Br)c(F)c2n1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 3/20 0.45
▸ KDM1A O60341 1/20 0.43
▸ EHMT2 Q96KQ7 1/20 0.43
▸ RCOR1 Q9UKL0 1/20 0.43
▸ TLR9 Q9NR96 4/20 0.40
▸ KCNH2 Q12809 2/20 0.38
▸ SUV39H2 Q9H5I1 4/20 0.38
▸ TLR7 Q9NYK1 1/20 0.37
▸ NMT2 O60551 1/20 0.37
▸ NMT1 P30419 1/20 0.37
▸ DNMT3A Q9Y6K1 1/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ NR1H2 P55055 1/20 0.36
▸ NR1H3 Q13133 1/20 0.36
▸ KIT P10721 1/20 0.35
▸ CXCR2 P25025 1/20 0.35

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
SCHEMBL21458519 0.91 KRAS (0.54) KRASKDM1AEHMT2RCOR1TLR9
SCHEMBL30244730 0.89 KRAS (0.44) KRASKDM1AEHMT2RCOR1TLR9
SCHEMBL21458696 0.89 KRAS (0.44) KRASKDM1AEHMT2RCOR1TLR9
SCHEMBL19681378 0.88 KRAS (0.47) KRASNMT2NMT1
SCHEMBL21458920 0.87 KRAS (0.44) KRASKDM1AEHMT2RCOR1TLR9
SCHEMBL18128462 0.86 TLR9 (0.41) KDM1AEHMT2RCOR1TLR9KCNH2
SCHEMBL16637139 0.85 TLR9 (0.43) TLR9KCNH2SUV39H2TLR7NR1H2
SCHEMBL24161862 0.85 KRAS (0.46) KRASTLR9KCNH2SUV39H2TLR7
SCHEMBL22029193 0.84 KRAS (0.51) KRASKDM1AEHMT2RCOR1TLR9
SCHEMBL30911254 0.84 KRAS (0.51) KRASKDM1AEHMT2RCOR1TLR9

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 20 patents. 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-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-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-20220242875-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2022-08-04 — — 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
CN-106488910-B Inhibitors of KRAS G12C 亚瑞克西斯制药公司 2020-07-31 — — CN 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
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
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-20210188869-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885KDM1A 2385/4885EHMT2 3428/4885
US-10927125-B2 Substituted cinnolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885KDM1A 3393/4885EHMT2 4425/4885
US-12234244-B2 Substituted piperazines as inhibitors of KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885KDM1A 2024/4885EHMT2 2215/4885
US-11878985-B2 Substituted quinazolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885KDM1A 2367/4885EHMT2 3173/4885
US-20200102321-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885KDM1A 2367/4885EHMT2 3173/4885
US-20240352028-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885KDM1A 2367/4885EHMT2 3173/4885
US-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885KDM1A 2367/4885EHMT2 3173/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885KDM1A 2385/4885EHMT2 3428/4885
US-10370386-B2 Substituted quinolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885KDM1A 1952/4885EHMT2 2712/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885KDM1A 2385/4885EHMT2 3428/4885
US-20240043441-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885KDM1A 2385/4885EHMT2 3428/4885
US-20230303586-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885KDM1A 2385/4885EHMT2 3428/4885
US-20220242875-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885KDM1A 2385/4885EHMT2 3428/4885

“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.