SCHEMBL21542641

SCHEMBL21542641

COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(C)c([N+](=O)[O-])c(Cl)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 3/20 0.47
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PIK3CD O00329 1/20 0.41
HPGD P15428 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
BMP1 P13497 2/20 0.39
POLB P06746 1/20 0.38
PIK3CA P42336 1/20 0.38
APLNR P35414 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MERTK Q12866 1/20 0.38
EGFR P00533 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
S1PR4 O95977 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
SCHEMBL21543036 0.82 DCTPP1 (0.41) DCTPP1NPC1RAB9AHPGDGAA
SCHEMBL30708395 0.81 PIK3CD (0.43) DCTPP1PIK3CDHTTPIK3CAAPLNR
SCHEMBL23974786 0.79 PIK3CD (0.42) DCTPP1PIK3CDHTTPIK3CAAPLNR
SCHEMBL22029147 0.79 PIK3CD (0.42) DCTPP1PIK3CDHTTPIK3CAAPLNR
SCHEMBL30826844 0.79 PIK3CD (0.42) DCTPP1PIK3CDHTTPIK3CAAPLNR
SCHEMBL31491014 0.79 PIK3CD (0.42) RAB9APIK3CDHTTPIK3CAAPLNR
SCHEMBL21734048 0.76 PIK3CD (0.42) DCTPP1PIK3CDHTTPIK3CANPSR1
SCHEMBL31491010 0.76 PIK3CD (0.42) DCTPP1PIK3CDHTTPIK3CAAPLNR
SCHEMBL31491021 0.76 APLNR (0.42) DCTPP1PIK3CDPIK3CAAPLNRNPSR1
SCHEMBL24227080 0.76 PIK3CD (0.43) DCTPP1PIK3CDHTTPIK3CAAPLNR

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 13 patents. 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
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-20220175782-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2022-06-09 US disclosed
US-11285156-B2 Substituted piperazines as KRAS G12C inhibitors AMGEN INC. (US) 2022-03-29 US disclosed
US-11090304-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2021-08-17 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
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 (10 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-11285156-B2 Substituted piperazines as KRAS G12C inhibitors KRAS, NRAS, HRAS DCTPP1 317/4885NPC1 3617/4885RAB9A 143/4885
US-20190343838-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS DCTPP1 243/4885NPC1 3428/4885RAB9A 70/4885
US-11090304-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS DCTPP1 243/4885NPC1 3428/4885RAB9A 70/4885
US-20250381187-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS DCTPP1 243/4885NPC1 3428/4885RAB9A 70/4885
US-12083121-B2 Substituted piperazines as KRAS G12C inhibitors KRAS, NRAS, HRAS DCTPP1 317/4885NPC1 3617/4885RAB9A 143/4885
US-12440491-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS DCTPP1 243/4885NPC1 3428/4885RAB9A 70/4885
US-20220395504-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS DCTPP1 243/4885NPC1 3428/4885RAB9A 70/4885
US-20240050430-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS DCTPP1 243/4885NPC1 3428/4885RAB9A 70/4885
US-20220175782-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS DCTPP1 234/4885NPC1 3247/4885RAB9A 75/4885
US-11766436-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS DCTPP1 243/4885NPC1 3428/4885RAB9A 70/4885

“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.