SCHEMBL21542581

SCHEMBL21542581

CC(C)n1ccnc1-n1c(=O)[nH]c(=O)c2cc(Cl)c(Br)cc21

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HAVCR2 Q8TDQ0 1/20 0.34
▸ MAT2A P31153 2/20 0.33
▸ GRIN2D O15399 1/20 0.30
▸ GRIN3B O60391 1/20 0.30
▸ GRIA1 P42261 1/20 0.30
▸ GRIA2 P42262 1/20 0.30
▸ GRIA3 P42263 1/20 0.30
▸ GRIA4 P48058 1/20 0.30
▸ GRIN1 Q05586 1/20 0.30
▸ GRIN2A Q12879 1/20 0.30
▸ GRIN2B Q13224 1/20 0.30
▸ GRIN2C Q14957 1/20 0.30
▸ GRIN3A Q8TCU5 1/20 0.30
▸ KMO O15229 1/20 0.30

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
SCHEMBL30762814 1.00 HAVCR2 (0.34) HAVCR2MAT2AGRIN2DGRIN3BGRIA1
SCHEMBL30762715 0.81 MAT2A (0.38) HAVCR2MAT2A
SCHEMBL21543700 0.81 MAT2A (0.38) HAVCR2MAT2A
SCHEMBL30154869 0.76 MAT2A (0.41) MAT2A
SCHEMBL29517993 0.70 FAAH (0.39) HAVCR2MAT2A
SCHEMBL20296746 0.70 FAAH (0.39) HAVCR2MAT2A
SCHEMBL29517375 0.70 MAT2A (0.36) HAVCR2MAT2A
SCHEMBL20296517 0.70 MAT2A (0.36) HAVCR2MAT2A
SCHEMBL31145394 0.69 ADORA3 (0.42) MAT2A
SCHEMBL22093080 0.69 ADORA3 (0.42) MAT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-11090304-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2021-08-17 — — US 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 (5 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 HAVCR2 3352/4885MAT2A 2797/4885GRIN2D 4819/4885
US-11090304-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS HAVCR2 3352/4885MAT2A 2797/4885GRIN2D 4819/4885
US-20220395504-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS HAVCR2 3352/4885MAT2A 2797/4885GRIN2D 4819/4885
US-20240050430-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS HAVCR2 3352/4885MAT2A 2797/4885GRIN2D 4819/4885
US-11766436-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS HAVCR2 3352/4885MAT2A 2797/4885GRIN2D 4819/4885

“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.

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