SCHEMBL407727

SCHEMBL407727

FC(F)(F)c1ccc2o[c]nc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
KDM4E B2RXH2 2/20 0.40
EPHX2 P34913 3/20 0.37
BACE1 P56817 1/20 0.36
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
PARP1 P09874 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SCN4A P35499 1/20 0.34
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
KMO O15229 1/20 0.33
METAP2 P50579 1/20 0.33
PTPN5 P54829 1/20 0.32
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
CACNA1D Q01668 1/20 0.32

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
SCHEMBL407918 0.85 PKM (0.41) PKMKDM4EEPHX2BACE1PIM1
SCHEMBL6411255 0.81 NPC1 (0.36) PKMMEN1KMT2ACNR2RAB9A
SCHEMBL20581830 0.75 PIM1 (0.41) PKMEPHX2PIM1MEN1KMT2A
SCHEMBL938963 0.71 NPC1 (0.42) KDM4ERAB9ASMN1; SMN2
SCHEMBL207265 0.71 AHR (0.37) BACE1PIM1MEN1KMT2ARAB9A
SCHEMBL4152683 0.71 RAB9A (0.42) PKMKDM4EMEN1KMT2ARAB9A
SCHEMBL4640466 0.68 DYRK1A (0.45) PKMKDM4EEPHX2BACE1PIM1
SCHEMBL31391349 0.68 DYRK1A (0.45) PKMKDM4EEPHX2BACE1PIM1
SCHEMBL940594 0.68 ALDH1A1 (0.44) KDM4EMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL11784689 0.67 RAB9A (0.42) KDM4EMEN1KMT2ANOS3NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210292281-A1 PYRAZOLE AND IMIDAZOLE COMPOUNDS FOR INHIBITION OF IL-17 AND RORGAMMA REATA PHARMACEUTICALS, INC. (US) 2021-09-23 US claimed
CN-112654610-A Pyrazole and imidazole compounds for inhibiting IL-17 and ROR gamma 里亚塔医药公司 2021-04-13 CN claimed
EP-2389066-B1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LTD (GB) 2017-07-05 EP claimed
EP-2387569-B1 HERBCIDES SYNGENTA LTD (GB) 2016-06-15 EP claimed
US-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 US claimed
US-8865623-B2 Herbicidally active cyclic diones and derivatives thereof, processes for their preparation, compositions, and method of controlling weeds SYNGENTA LIMITED (GB) 2014-10-21 US claimed
US-20030216571-A1 Antiallergens; antiinflammatory agents UBE INDUSTRIES, LTD. (JP) 2003-11-20 US claimed
EP-1254897-A1 TRICYCLIC COMPOUNDS Ube Industries, Ltd. (JP) 2002-11-06 EP claimed
US-11993574-B2 Pyrazole and imidazole compounds for inhibition of IL-17 and RORgamma REATA PHARMACEUTICALS, INC (US) 2024-05-28 US disclosed
CN-108368064-B 1,2, 3-triazole derivative and insecticide and acaricide comprising the same as active ingredient 北兴化学工业株式会社 2022-04-26 CN disclosed
US-20210292281-A1 PYRAZOLE AND IMIDAZOLE COMPOUNDS FOR INHIBITION OF IL-17 AND RORGAMMA REATA PHARMACEUTICALS, INC. (US) 2021-09-23 US disclosed
US-11046659-B2 1,2,3-triazole derivative and insecticide and acaricide containing said derivative as active ingredient HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2021-06-29 US disclosed
US-20210147380-A1 CYSTEINE-DEPENDENT INVERSE AGONISTS OF NUCLEAR RECEPTORS ROR-GAMMA/ROR-GAMMA-T AND METHODS OF TREATING DISEASES OR DISORDERS THEREWITH REATA PHARMACEUTICALS, INC. (US) 2021-05-20 US disclosed
US-20190322630-A1 1,2,3-TRIAZOLE DERIVATIVE AND INSECTICIDE AND ACARICIDE CONTAINING SAID DERIVATIVE AS ACTIVE INGREDIENT HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2019-10-24 US disclosed
CN-1349515-A Benzoxazole compound, process for producing the same, and herbicide UBE INDUSTRIES (JP) 2002-05-15 CN disclosed
US-5684029-A HYPOTENSIVE AGENTS KARL THOMAE GMBH (DE) 1997-11-04 US disclosed
EP-0468470-B1 Benzimidazoles, medicaments containing them and process for their preparation THOMAE GMBH DR K (DE) 1997-04-16 EP disclosed
US-5587393-A ANGIOTENSIN ANTAGONIST USEFUL IN TREATING HYPERTENSION DR. KARL THOMAE GMBH (DE) 1996-12-24 US disclosed
US-5385925-A Benzimidazoles, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1995-01-31 US disclosed
EP-0468470-A1 Benzimidazoles, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-01-29 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 (6 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-20210147380-A1 CYSTEINE-DEPENDENT INVERSE AGONISTS OF NUCLEAR RECEPTORS ROR-GAMMA/ROR-GAMMA-T AND METHODS OF TREATING DISEASES OR DISORDERS THEREWITH RORC, RORA, RORB PKM 3891/4885KDM4E 3465/4885EPHX2 1704/4885
US-11046659-B2 1,2,3-triazole derivative and insecticide and acaricide containing said derivative as active ingredient AADAC, CYP51A1, NAT1 PKM 4575/4885KDM4E 1111/4885EPHX2 857/4885
US-20210292281-A1 PYRAZOLE AND IMIDAZOLE COMPOUNDS FOR INHIBITION OF IL-17 AND RORGAMMA RORC, RORB, RORA PKM 2827/4885KDM4E 3221/4885EPHX2 2655/4885
US-20030216571-A1 Antiallergens; antiinflammatory agents CYSLTR2, CYSLTR1, LTC4S PKM 4808/4885KDM4E 3264/4885EPHX2 386/4885
US-20190322630-A1 1,2,3-TRIAZOLE DERIVATIVE AND INSECTICIDE AND ACARICIDE CONTAINING SAID DERIVATIVE AS ACTIVE INGREDIENT AADAC, CYP51A1, NAT1 PKM 4575/4885KDM4E 1111/4885EPHX2 857/4885
US-11993574-B2 Pyrazole and imidazole compounds for inhibition of IL-17 and RORgamma RORC, RORB, RORA PKM 2827/4885KDM4E 3221/4885EPHX2 2655/4885

“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.