Sugi Predict

Sugi Predict / Compounds / SCHEMBL23043391

SCHEMBL23043391

SCHEMBL23043391

Nc1c(Br)cc(Br)c2c(F)cccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HKDC1 Q2TB90 1/20 0.53
▸ CASP6 P55212 1/20 0.42
▸ CYP3A4 P08684 4/20 0.41
▸ CYP1A2 P05177 3/20 0.41
▸ CYP2C9 P11712 3/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ CTSB P07858 1/20 0.39
▸ CYP2D6 P10635 1/20 0.38
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ACHE P22303 1/20 0.32
▸ IDO1 P14902 1/20 0.31
▸ TDO2 P48775 1/20 0.31
▸ TYMS P04818 1/20 0.30
▸ ALOX5AP P20292 1/20 0.30
▸ FEN1 P39748 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
SCHEMBL29940073 1.00 HKDC1 (0.53) HKDC1CASP6CYP3A4CYP1A2CYP2C9
SCHEMBL29943628 0.85 HKDC1 (0.44) HKDC1CASP6CYP3A4CYP1A2CYP2C9
SCHEMBL23409303 0.82 HKDC1 (0.58) HKDC1CASP6CYP3A4ALDH1A1CTSB
SCHEMBL23043385 0.77 HKDC1 (0.58) HKDC1CASP6CYP1A2ALDH1A1CTSB
SCHEMBL24536160 0.77 HKDC1 (0.41) HKDC1CASP6CTSBCA1CA2
SCHEMBL29418744 0.77 HKDC1 (0.58) HKDC1CASP6CYP1A2ALDH1A1CTSB
SCHEMBL15537796 0.74 ALDH1A1 (0.44) HKDC1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL30942211 0.74 HKDC1 (0.39) HKDC1CASP6CYP3A4CYP1A2CYP2C9
SCHEMBL24176048 0.74 HKDC1 (0.39) HKDC1CASP6CYP3A4CYP1A2CYP2C9
SCHEMBL25822375 0.74 HKDC1 (0.46) HKDC1CASP6CTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12630566-B2 KRas G12D inhibitors Mirati Therapeutics, Inc. (US) 2026-05-19 — — US disclosed
US-20260062425-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2026-03-05 — — US disclosed
US-12338256-B2 Aza-tetracyclic oxazepine compounds and uses thereof GENENTECH, INC. (US) 2025-06-24 — — US disclosed
EP-4526309-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF Genentech, Inc. (US) 2025-03-26 — — EP disclosed
EP-4305037-B1 KRAS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2025-02-26 — — EP disclosed
EP-4305038-B1 KRAS G12D INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2025-01-29 — — EP disclosed
US-20240368186-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2024-11-07 — — US disclosed
US-20240317769-A1 KRAS G12D INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-09-26 — — US disclosed
US-20240309020-A1 KRAS G12D INHIBITORS ARRAY BIOPHARMA INC. 2024-09-19 — — US disclosed
US-20240217982-A1 KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2024-07-04 — — US disclosed
WO-2023056951-A1 ARYL-SUBSTITUTED HETEROCYCLIC COMPOUND 杭州德睿智药科技有限公司 2023-04-13 — — WO disclosed
US-20230077225-A1 KRAS G12D INHIBITORS Mirati Therapeutics, Inc. 2023-03-09 — — US disclosed
US-11453683-B1 KRas G12D inhibitors Mirati Therapeutics, Inc. (US) 2022-09-27 — — US disclosed
WO-2022192794-A1 KRAS G12D INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2022-09-15 — — WO disclosed
WO-2022192790-A1 KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2022-09-15 — — WO disclosed
WO-2022192790-A1 KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2022-09-15 — — WO disclosed
EP-4021444-A1 KRAS G12D INHIBITORS Mirati Therapeutics, Inc. (US) 2022-07-06 — — EP disclosed
CN-114615981-A KRAS G12D inhibitors 米拉蒂治疗股份有限公司 2022-06-10 — — CN disclosed
WO-2021041671-A1 KRAS G12D INHIBITORS Mirati Therapeutics, Inc. (US) 2021-03-04 — — WO disclosed
WO-2021041671-A1 KRAS G12D INHIBITORS Mirati Therapeutics, Inc. (US) 2021-03-04 — — WO 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 (9 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-20240217982-A1 KRAS INHIBITORS KRAS, NRAS, HRAS HKDC1 981/4885CASP6 1381/4885CYP3A4 4552/4885
US-20230077225-A1 KRAS G12D INHIBITORS KRAS, NRAS, HRAS HKDC1 373/4885CASP6 2978/4885CYP3A4 3974/4885
US-12338256-B2 Aza-tetracyclic oxazepine compounds and uses thereof AZI2, TET3, OXA1L HKDC1 3751/4885CASP6 1788/4885CYP3A4 852/4885
US-12630566-B2 KRas G12D inhibitors KRAS, NRAS, HRAS HKDC1 1097/4885CASP6 3196/4885CYP3A4 4044/4885
US-20260062425-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF KRAS, NRAS, HRAS HKDC1 3589/4885CASP6 3781/4885CYP3A4 1005/4885
US-20240317769-A1 KRAS G12D INHIBITORS KRAS, NRAS, HRAS HKDC1 657/4885CASP6 1816/4885CYP3A4 4719/4885
US-11453683-B1 KRas G12D inhibitors KRAS, NRAS, HRAS HKDC1 481/4885CASP6 3384/4885CYP3A4 4362/4885
US-20240368186-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF AZI2, TET3, OXA1L HKDC1 3751/4885CASP6 1788/4885CYP3A4 852/4885
US-20240309020-A1 KRAS G12D INHIBITORS KRAS, NRAS, HRAS HKDC1 373/4885CASP6 2978/4885CYP3A4 3974/4885

“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.