SCHEMBL2693282

SCHEMBL2693282

CCc1cc(C#N)ccc1F

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.47
MPO P05164 2/20 0.43
HSD11B1 P28845 1/20 0.42
EGLN2 Q96KS0 1/20 0.40
ABCC9 O60706 1/20 0.40
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
KCNJ8 Q15842 1/20 0.40
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
TRPV4 Q9HBA0 1/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
PGR P06401 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PARP14 Q460N5 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL30693081 1.00 CYP2A6 (0.47) CYP2A6MPOHSD11B1EGLN2ABCC9
SCHEMBL2695236 0.85 MEN1 (0.43) CYP2A6MPOHSD11B1ABCC9ABCC8
SCHEMBL1642300 0.84 FFAR1 (0.48) CYP2A6EGLN2ABCC9ABCC8KCNJ11
SCHEMBL15018450 0.84 MPO (0.43) MPOHSD11B1EGLN2FFAR1FFAR4
SCHEMBL3035956 0.82 MAPT (0.35) CYP2A6FFAR1FFAR4SMN1; SMN2
SCHEMBL18615344 0.81 PGR (0.50) CYP2A6SLC6A4KCNH2PGRGAA
SCHEMBL13824727 0.81 CYP2A6 (0.52) CYP2A6EGLN2ABCC9ABCC8KCNJ11
SCHEMBL26948215 0.80 SLC6A4 (0.40) CYP2A6MPOHSD11B1ABCC9ABCC8
SCHEMBL18493859 0.80 LOXL2 (0.47) MPOHSD11B1EGLN2SLC6A4SLC6A3
SCHEMBL411021 0.80 MPO (0.43) CYP2A6MPOHSD11B1EGLN2FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118315670-A Electrolyte additive and application thereof, single-particle graphite negative electrode electrolyte and application thereof 国网湖南省电力有限公司 2024-07-09 CN claimed
CN-108623496-B Preparation method of 3-ethyl-4-fluorobenzonitrile 上海特化医药科技有限公司 2022-11-08 CN claimed
CN-108623496-A The preparation method of 3- ethyl -4- fluorobenzonitriles 上海特化医药科技有限公司 2018-10-09 CN claimed
US-20250353843-A1 ANALOGUES OF AZABICYCLIC COMPOUNDS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2025-11-20 US disclosed
EP-4538257-A1 ANALOGUES OF AZABICYCLIC COMPOUNDS Taiho Pharmaceutical Co., Ltd. (JP) 2025-04-16 EP disclosed
CN-119365442-A Azabicyclo compounds analogues of the same 大鹏药品工业株式会社 2025-01-24 CN disclosed
CN-118315670-A Electrolyte additive and application thereof, single-particle graphite negative electrode electrolyte and application thereof 国网湖南省电力有限公司 2024-07-09 CN disclosed
WO-2023238930-A1 ANALOGUES OF AZABICYCLIC COMPOUNDS 大鵬薬品工業株式会社 2023-12-14 WO disclosed
WO-2023240253-A2 MODULATORS OF TNF-ALPHA ACTIVITY FORWARD THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed
CN-115960100-B Synthesis method of Pi Mite xib drug for treating gastrointestinal stromal tumor 北京康立生医药技术开发有限公司 2023-08-18 CN disclosed
CN-115960100-A Synthetic method of drug Pi Mite Xibu for treating gastrointestinal stromal tumor 北京康立生医药技术开发有限公司 2023-04-14 CN disclosed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 US disclosed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 US disclosed
US-20080027050-A1 Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio) TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-31 US disclosed
WO-2007145570-A1 AMINO-IMIDAZOLONES AND THEIR USE AS A MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT, ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2007-12-21 WO disclosed
US-7297695-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-20 US disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 US disclosed
US-20070082908-A1 Bicycle pyrazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-12 US disclosed
EP-1740551-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR Takeda Pharmaceutical Company Limited (JP) 2007-01-10 EP disclosed
WO-2005105760-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-10 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 (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-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CYP2A6 81/4885MPO 1879/4885HSD11B1 2392/4885
US-20080027050-A1 Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio) MMP13, HDAC11, HDAC1 CYP2A6 171/4885MPO 426/4885HSD11B1 46/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CYP2A6 81/4885MPO 1879/4885HSD11B1 2392/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CYP2A6 81/4885MPO 1879/4885HSD11B1 2392/4885
US-20070082908-A1 Bicycle pyrazole derivative DPP4, DPP7, DPP3 CYP2A6 124/4885MPO 1294/4885HSD11B1 261/4885
US-20250353843-A1 ANALOGUES OF AZABICYCLIC COMPOUNDS API5, AZI2, CYP4B1 CYP2A6 1204/4885MPO 3029/4885HSD11B1 4274/4885

“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.