SCHEMBL21543540

SCHEMBL21543540

COc1nc(C(C)C)c(N)c(C(C)C)n1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
DHFR P00374 1/20 0.31

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
SCHEMBL28666947 0.87 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2
SCHEMBL21543468 0.73 HASPIN (0.39) ALDH1A1SMN1; SMN2DHFR
SCHEMBL26704890 0.71 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2
SCHEMBL21348050 0.70 POLB (0.48) ALDH1A1SMN1; SMN2MEN1MAPTTSHR
SCHEMBL21543450 0.70
SCHEMBL16477780 0.70 ADORA2A (0.32)
SCHEMBL29038150 0.70 TSHR (0.35) ALDH1A1SMN1; SMN2TSHR
SCHEMBL22705029 0.69 HTR7 (0.41) ALDH1A1
SCHEMBL9186220 0.68 HRH4 (0.41) ALDH1A1SMN1; SMN2TSHR
SCHEMBL21542868 0.67 POLB (0.40) ALDH1A1SMN1; SMN2TSHRKMT2ADHFR

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 24 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-12083121-B2 Substituted piperazines as KRAS G12C inhibitors AMGEN INC. (US) 2024-09-10 US disclosed
US-20240050430-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2024-02-15 US disclosed
EP-3788038-B1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC (US) 2023-10-11 EP disclosed
EP-3788038-B1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC (US) 2023-10-11 EP disclosed
US-11766436-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2023-09-26 US disclosed
US-11766436-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2023-09-26 US disclosed
US-11766436-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2023-09-26 US disclosed
US-20220395504-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2022-12-15 US disclosed
US-20210355125-A1 HETEROCYCLIC COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2021-11-18 US disclosed
US-11090304-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2021-08-17 US disclosed
US-11090304-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2021-08-17 US disclosed
US-11091481-B2 Heterocyclic compounds, preparation and methods and uses thereof InventisBio Co., Ltd. (CN) 2021-08-17 US disclosed
US-20210198255-A1 HETEROCYCLIC COMPOUNDS, PREPARATION AND METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2021-07-01 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
EP-3788038-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME Amgen Inc. (US) 2021-03-10 EP disclosed
WO-2020233592-A1 HETEROCYCLIC COMPOUNDS, PREPARATION METHODS AND USES THEREOF INVENTISBIO SHANGHAI LTD. (CN) 2020-11-26 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-20190343838-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS ALDH1A1 4162/4885SMN1; SMN2 3173/4885MEN1 296/4885
US-11090304-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS ALDH1A1 4162/4885SMN1; SMN2 3173/4885MEN1 296/4885
US-11091481-B2 Heterocyclic compounds, preparation and methods and uses thereof KRAS, NRAS, HRAS ALDH1A1 1502/4885SMN1; SMN2 3435/4885MEN1 71/4885
US-20210355125-A1 HETEROCYCLIC COMPOUNDS, PREPARATION METHODS AND USES THEREOF KRAS, NRAS, HRAS ALDH1A1 1602/4885SMN1; SMN2 3960/4885MEN1 63/4885
US-20210198255-A1 HETEROCYCLIC COMPOUNDS, PREPARATION AND METHODS AND USES THEREOF KRAS, NRAS, HRAS ALDH1A1 1502/4885SMN1; SMN2 3435/4885MEN1 71/4885
US-20250381187-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS ALDH1A1 4162/4885SMN1; SMN2 3173/4885MEN1 296/4885
US-12083121-B2 Substituted piperazines as KRAS G12C inhibitors KRAS, NRAS, HRAS ALDH1A1 3126/4885SMN1; SMN2 2424/4885MEN1 1528/4885
US-12440491-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS ALDH1A1 4162/4885SMN1; SMN2 3173/4885MEN1 296/4885
US-20220395504-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS ALDH1A1 4162/4885SMN1; SMN2 3173/4885MEN1 296/4885
US-20240050430-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS ALDH1A1 4162/4885SMN1; SMN2 3173/4885MEN1 296/4885
US-11766436-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS ALDH1A1 4162/4885SMN1; SMN2 3173/4885MEN1 296/4885

“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.