SCHEMBL21543036

SCHEMBL21543036

C=C(C)c1nc(N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)cc(C)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 2/20 0.41
POLB P06746 1/20 0.40
HPGD P15428 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TSPO P30536 1/20 0.37
KMT2A Q03164 3/20 0.37
HTT P42858 3/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 6/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SLC2A1 P11166 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 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
SCHEMBL21542641 0.82 DCTPP1 (0.47) DCTPP1POLBHPGDNPC1RAB9A
SCHEMBL21543246 0.72 POLB (0.37) DCTPP1POLBRAB9AKMT2AHTT
SCHEMBL30142533 0.70 TSPO (0.39) TSPOKMT2AGAAALDH1A1SMN1; SMN2
SCHEMBL30708395 0.68 PIK3CD (0.43) DCTPP1TSPOKMT2AHTTALDH1A1
SCHEMBL25982118 0.68 LMNA (0.41) DCTPP1TSPOKMT2AALDH1A1SMN1; SMN2
SCHEMBL1457286 0.68 NPC1 (0.45) DCTPP1POLBHPGDNPC1RAB9A
SCHEMBL1461584 0.67 ALDH1A1 (0.34) POLBHPGDNPC1RAB9AKMT2A
SCHEMBL4766444 0.67 DCTPP1 (0.43) DCTPP1NPC1RAB9AKMT2AHTT
SCHEMBL24649502 0.66 PIK3CA (0.41) DCTPP1TSPOKMT2AHTTALDH1A1
SCHEMBL22029147 0.66 PIK3CD (0.42) DCTPP1TSPOKMT2AHTTALDH1A1

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 317/4885POLB 596/4885HPGD 1474/4885
US-20190343838-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS DCTPP1 243/4885POLB 549/4885HPGD 2130/4885
US-11090304-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS DCTPP1 243/4885POLB 549/4885HPGD 2130/4885
US-20250381187-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS DCTPP1 243/4885POLB 549/4885HPGD 2130/4885
US-12083121-B2 Substituted piperazines as KRAS G12C inhibitors KRAS, NRAS, HRAS DCTPP1 317/4885POLB 596/4885HPGD 1474/4885
US-12440491-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS DCTPP1 243/4885POLB 549/4885HPGD 2130/4885
US-20220395504-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS DCTPP1 243/4885POLB 549/4885HPGD 2130/4885
US-20240050430-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS DCTPP1 243/4885POLB 549/4885HPGD 2130/4885
US-20220175782-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS DCTPP1 234/4885POLB 632/4885HPGD 2379/4885
US-11766436-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS DCTPP1 243/4885POLB 549/4885HPGD 2130/4885

“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.