SCHEMBL2515829

SCHEMBL2515829

O=Cc1ccnc(C(F)(F)F)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 4/20 0.42
▸ ALDH1A1 P00352 2/20 0.39
▸ CCR1 P32246 2/20 0.39
▸ IDH1 O75874 5/20 0.36
▸ IDH2 P48735 4/20 0.36
▸ MPI P34949 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CYP17A1 P05093 1/20 0.32
▸ FGFR4 P22455 1/20 0.32
▸ MAPKAPK2 P49137 1/20 0.32
▸ CCR5 P51681 1/20 0.31
▸ CCR8 P51685 1/20 0.31
▸ TAS2R14 Q9NYV8 1/20 0.31
▸ TERT O14746 1/20 0.31
▸ NOS3 P29474 1/20 0.31
▸ NOS2 P35228 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
SCHEMBL30798849 1.00 MALT1 (0.42) MALT1ALDH1A1CCR1IDH1IDH2
SCHEMBL25400523 0.80 MALT1 (0.42) MALT1ALDH1A1IDH1IDH2TAS2R14
SCHEMBL13306229 0.80 ALDH1A1 (0.39) ALDH1A1CCR1MPIKMT2AFGFR4
SCHEMBL29957074 0.80 ALDH1A1 (0.39) ALDH1A1CCR1MPIKMT2AFGFR4
SCHEMBL2051841 0.72 — —
SCHEMBL12151205 0.72 ALDH1A1 (0.47) ALDH1A1MPIKMT2A
SCHEMBL5261866 0.72 MALT1 (0.39) MALT1IDH1IDH2
SCHEMBL4585500 0.72 CCR1 (0.46) ALDH1A1CCR1MPIKMT2AFGFR4
SCHEMBL19067019 0.71 KMT2A (0.40) ALDH1A1MPIKMT2ANOS3NOS2
SCHEMBL21328933 0.70 MALT1 (0.52) MALT1IDH1IDH2CYP17A1TAS2R14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246932-A1 ARYL 3-OXOPIPERAZINE CARBOXAMIDES AND HETEROARYL 3-OXOPIPERAZINE CARBOXAMIDES AS NAV1.8 INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-07-25 — — US disclosed
EP-4334306-A1 ARYL 3-OXOPIPERAZINE CARBOXAMIDES AND HETEROARYL 3-OXOPIPERAZINE CARBOXAMIDES AS NAV1.8 INHIBITORS Merck Sharp & Dohme LLC (US) 2024-03-13 — — EP disclosed
CN-117597339-A Aryl 3-oxo-piperazine carboxamides and heteroaryl 3-oxo-piperazine carboxamides as NAV1.8 inhibitors 默沙东有限责任公司 2024-02-23 — — CN disclosed
WO-2023171783-A1 PYRAZOLE COMPOUND, AND NOXIOUS ORGANISM CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT 三井化学アグロ株式会社 2023-09-14 — — WO disclosed
WO-2022235558-A1 ARYL 3-OXOPIPERAZINE CARBOXAMIDES AND HETEROARYL 3-OXOPIPERAZINE CARBOXAMIDES AS NAV1.8 INHIBITORS MERCK SHARP & DOHME LLC (US) 2022-11-10 — — WO disclosed
CN-108349983-B Dihydroimidazopyrazinone derivatives useful for the treatment of cancer 阿斯利康(瑞典)有限公司 2021-02-26 — — CN disclosed
US-10202391-B2 Chemical compounds ASTRAZENECA AB (SE) 2019-02-12 — — US disclosed
EP-3374359-A1 DIHYDROIMIDAZOPYRAZINONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astrazeneca AB (SE) 2018-09-19 — — EP disclosed
US-20180237443-A1 Chemical Compounds ASTRAZENECA AB (SE) 2018-08-23 — — US disclosed
US-9902731-B2 Chemical compounds ASTRAZENECA AB (SE) 2018-02-27 — — US disclosed
US-5580889-A Insecticidal nitromethyl or niteoimino-heteromethyl-heterocyclics NIHON BAYER AGROCHEM K.K. (JP) 1996-12-03 — — US disclosed
US-5461167-A 2-chloro-5-chloromethyl thiazole; insecticide NIHON BAYER AGROCHEM K.K. (JP) 1995-10-24 — — US disclosed
US-5428032-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1995-06-27 — — US disclosed
US-5298507-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1994-03-29 — — US disclosed
US-5204360-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1993-04-20 — — US disclosed
US-5001138-A Insecticides NIHON TOKUSHU NOYAKU SEIZO, K.K. (JP) 1991-03-19 — — US disclosed
CN-1047285-A New phenyl pyrimidine ketone derivatives and preparation method thereof ICI PLC (GB) 1990-11-28 — — CN disclosed
US-4845106-A INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-07-04 — — US disclosed
US-4742060-A 2-(NITROIMINO)- OR 2-(NITROMETHYLENE)-IMIDAZOLIDINES AS INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K. K. (JP) 1988-05-03 — — US disclosed
EP-0192060-A1 Heterocyclic compounds NIHON BAYER AGROCHEM K.K. (JP) 1986-08-27 — — EP 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 (3 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-10202391-B2 Chemical compounds TP53, RB1, ABCB1 MALT1 1572/4885ALDH1A1 68/4885CCR1 2023/4885
US-20240246932-A1 ARYL 3-OXOPIPERAZINE CARBOXAMIDES AND HETEROARYL 3-OXOPIPERAZINE CARBOXAMIDES AS NAV1.8 INHIBITORS TRPV1, SCN8A, SCN2A MALT1 3391/4885ALDH1A1 2844/4885CCR1 962/4885
US-20180237443-A1 Chemical Compounds TP53, RB1, ABCB1 MALT1 1572/4885ALDH1A1 68/4885CCR1 2023/4885

“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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