Sugi Predict

Sugi Predict / Compounds / SCHEMBL19947663

SCHEMBL19947663

SCHEMBL19947663

CSc1nc2c(c(N3CCN(C(=O)OCc4ccccc4)[C@@H](CC#N)C3)n1)CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.41
▸ IDH1 O75874 1/20 0.39
▸ KRAS P01116 14/20 0.39
▸ NR1H2 P55055 2/20 0.37
▸ NR1H3 Q13133 2/20 0.37
▸ TMEM97 Q5BJF2 2/20 0.37
▸ SIGMAR1 Q99720 2/20 0.37
▸ VHL P40337 1/20 0.37
▸ CDK7 P50613 1/20 0.37
▸ CCNH P51946 1/20 0.37
▸ MNAT1 P51948 1/20 0.37
▸ SOS1 Q07889 1/20 0.37

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
SCHEMBL19947785 1.00 PARP1 (0.41) PARP1IDH1KRASNR1H2NR1H3
SCHEMBL19948826 0.97 PARP1 (0.45) PARP1IDH1KRASNR1H2NR1H3
SCHEMBL23668496 0.96 PARP1 (0.44) PARP1IDH1KRASNR1H2NR1H3
SCHEMBL19949087 0.92 IDH1 (0.41) IDH1KRASTMEM97SIGMAR1VHL
SCHEMBL19949089 0.92 IDH1 (0.41) IDH1KRASTMEM97SIGMAR1VHL
SCHEMBL29246005 0.91 KRAS (0.36) PARP1IDH1KRASNR1H2NR1H3
SCHEMBL29246004 0.91 KRAS (0.36) PARP1IDH1KRASNR1H2NR1H3
SCHEMBL19948333 0.90 PARP1 (0.42) PARP1IDH1KRASNR1H2NR1H3
SCHEMBL19617189 0.90 PARP1 (0.42) PARP1IDH1KRASNR1H2NR1H3
SCHEMBL30189044 0.90 PARP1 (0.42) PARP1IDH1KRASNR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4501932-A2 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2025-02-05 — — EP disclosed
CN-113874374-B Hydrogenated pyridopyrimidine derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2024-12-27 — — CN disclosed
EP-3880208-B1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2024-11-20 — — EP disclosed
CN-111989321-B KRAS G12C inhibitors 米拉蒂治疗股份有限公司 2024-05-14 — — CN disclosed
US-20240101553-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2024-03-28 — — US disclosed
US-20230373999-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-11-23 — — US disclosed
US-20230257374-A1 NOVEL KRAS G12C PROTEIN INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF INNOVENT BIOLOGICS (SUZHOU) CO., LTD. (CN) 2023-08-17 — — US disclosed
CN-114555586-B KRASG12C protein inhibitor and preparation method and application thereof 信达生物制药(苏州)有限公司 2023-06-23 — — CN disclosed
CN-113980014-B Hydrogenated pyridopyrimidine derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2023-05-12 — — CN disclosed
US-20230100838-A1 COVALENT RAS INHIBITORS AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-03-30 — — US disclosed
US-20200308170-A1 KRAS G12C INHIBITORS ARRAY BIOPHARMA INC. 2020-10-01 — — US disclosed
US-20200262837-A1 KRAS G12C INHIBITORS ARRAY BIOPHARMA INC. 2020-08-20 — — US disclosed
US-10689377-B2 KRas G12C inhibitors Mirati Therapeutics, Inc. (US) 2020-06-23 — — US disclosed
WO-2020101736-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2020-05-22 — — WO disclosed
US-10647715-B2 KRas G12C inhibitors Mirati Therapeutics, Inc. (US) 2020-05-12 — — US disclosed
US-10633381-B2 KRas G12C inhibitors Mirati Therapeutics, Inc. (US) 2020-04-28 — — US disclosed
US-20190270743-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2019-09-05 — — US disclosed
US-20190144444-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2019-05-16 — — US disclosed
US-10125134-B2 KRas G12C inhibitors Mirati Therapeutics, Inc. (US) 2018-11-13 — — US disclosed
US-20180072723-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2018-03-15 — — 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 (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-20190144444-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS PARP1 1128/4885IDH1 296/4885KRAS 1/4885
US-10633381-B2 KRas G12C inhibitors KRAS, NRAS, HRAS PARP1 1128/4885IDH1 296/4885KRAS 1/4885
US-20200262837-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS PARP1 1128/4885IDH1 296/4885KRAS 1/4885
US-20230100838-A1 COVALENT RAS INHIBITORS AND USES THEREOF KRAS, NRAS, HRAS PARP1 1929/4885IDH1 586/4885KRAS 1/4885
US-10647715-B2 KRas G12C inhibitors KRAS, NRAS, HRAS PARP1 1128/4885IDH1 296/4885KRAS 1/4885
US-10125134-B2 KRas G12C inhibitors KRAS, NRAS, HRAS PARP1 1128/4885IDH1 296/4885KRAS 1/4885
US-20200308170-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS PARP1 1128/4885IDH1 296/4885KRAS 1/4885
US-10689377-B2 KRas G12C inhibitors KRAS, NRAS, HRAS PARP1 1128/4885IDH1 296/4885KRAS 1/4885
US-20240101553-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS PARP1 1128/4885IDH1 296/4885KRAS 1/4885
US-20190270743-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS PARP1 1128/4885IDH1 296/4885KRAS 1/4885
US-20180072723-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS PARP1 1128/4885IDH1 296/4885KRAS 1/4885
US-20230257374-A1 NOVEL KRAS G12C PROTEIN INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF KRAS, NRAS, RASGRP1 PARP1 1719/4885IDH1 1273/4885KRAS 1/4885
US-20230373999-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS PARP1 1128/4885IDH1 296/4885KRAS 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.