SCHEMBL1717640

SCHEMBL1717640

NNC1CCC(F)(F)CC1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.36
IDH1 O75874 9/20 0.33
IDH2 P48735 4/20 0.32
KDM1A O60341 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
Hydrochloric Acid SCHEMBL15550997 0.97 EPHX2 (0.35) EPHX2IDH1IDH2KDM1A
Hydrochloric Acid SCHEMBL22042887 0.95 EPHX2 (0.34) EPHX2IDH1IDH2
Trifluoroacetic Acid SCHEMBL18693104 0.82 EPHX2 (0.38) EPHX2IDH1IDH2KDM1A
Tert-Butyl Formate SCHEMBL28116868 0.76 TDP1 (0.42) EPHX2IDH1
SCHEMBL13431718 0.74 ALDH1A1 (0.38) EPHX2IDH1IDH2KDM1A
SCHEMBL8229760 0.72 EPHX2 (0.36) EPHX2IDH1IDH2
SCHEMBL26487771 0.72 EPHX2 (0.37) EPHX2
SCHEMBL12819706 0.72 EPHX2 (0.36) EPHX2IDH1IDH2
Hydrochloric Acid SCHEMBL3235396 0.72 ALDH1A1 (0.36) EPHX2IDH1IDH2KDM1A
SCHEMBL178464 0.72 EPHX2 (0.40) EPHX2IDH1IDH2KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12630565-B2 DNA-dependent protein kinase inhibitor DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2026-05-19 US disclosed
US-20260062416-A1 INHIBITORS OF KIF18A AND USES THEREOF ACCENT THERAPEUTICS INC (US) 2026-03-05 US disclosed
US-20250388543-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-12-25 US disclosed
CN-114716381-B Compounds useful as kinase inhibitors 洛克索肿瘤学股份有限公司 2025-03-11 CN disclosed
CN-114605327-B Compounds useful as kinase inhibitors 洛克索肿瘤学股份有限公司 2025-03-11 CN disclosed
CN-119546580-A Heteroaryl compounds for the treatment of pain 沃泰克斯药物股份有限公司 2025-02-28 CN disclosed
EP-4511115-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN Vertex Pharmaceuticals Incorporated (US) 2025-02-26 EP disclosed
CN-114573510-B Compounds useful as kinase inhibitors 洛克索肿瘤学股份有限公司 2025-02-25 CN disclosed
US-12195469-B2 Compounds having PDE9A inhibitory activity, and pharmaceutical uses thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2025-01-14 US disclosed
CN-114591242-B Compounds useful as kinase inhibitors 洛克索肿瘤学股份有限公司 2025-01-07 CN disclosed
US-7964607-B2 Pyrazolo[3,4-d]pyrimidine compounds PFIZER INC. (US) 2011-06-21 US disclosed
WO-2011018495-A1 NEW COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-17 WO disclosed
WO-2010106333-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-09-23 WO disclosed
CN-101687876-A amino-heterocyclic compounds PFIZER 2010-03-31 CN disclosed
WO-2010026214-A1 PYRAZOLOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 WO disclosed
EP-2152712-A1 AMINO-HETEROCYCLIC COMPOUNDS Pfizer Inc. (US) 2010-02-17 EP disclosed
US-20090030003-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC 2009-01-29 US disclosed
US-20090030003-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC 2009-01-29 US disclosed
US-20090030003-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC 2009-01-29 US disclosed
WO-2008139293-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2008-11-20 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 (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-12630565-B2 DNA-dependent protein kinase inhibitor DCK, CHEK1, POLK EPHX2 3845/4885IDH1 403/4885IDH2 906/4885
US-12195469-B2 Compounds having PDE9A inhibitory activity, and pharmaceutical uses thereof PDE9A, PDE5A, PDE3A EPHX2 1131/4885IDH1 2797/4885IDH2 2228/4885
US-20250388543-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN SCN8A, SCN1B, SCN3A EPHX2 1138/4885IDH1 2130/4885IDH2 2332/4885
US-20090030003-A1 AMINO-HETEROCYCLIC COMPOUNDS PDE9A, PDE2A, PDE10A EPHX2 1450/4885IDH1 2146/4885IDH2 1500/4885
US-20260062416-A1 INHIBITORS OF KIF18A AND USES THEREOF KIF18A, KIF18B, KIF5B EPHX2 3719/4885IDH1 423/4885IDH2 1104/4885

“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.