SCHEMBL3513409

SCHEMBL3513409

CC(C)c1ccc(F)nc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.36
CYP2B6 P20813 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2E1 P05181 1/20 0.35
FOLH1 Q04609 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TYR P14679 1/20 0.33
CYP11B2 P19099 1/20 0.33
CHRNA7 P36544 1/20 0.33

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
SCHEMBL25489183 1.00 CYP2A6 (0.36) CYP2A6CYP2B6CYP3A4CYP2C19CYP2E1
SCHEMBL30144069 1.00 CYP2A6 (0.36) CYP2A6CYP2B6CYP3A4CYP2C19CYP2E1
SCHEMBL12919979 0.83 CYP11B2 (0.47) CYP2A6CYP2B6CYP3A4CYP2C19CYP2E1
SCHEMBL7999672 0.82 CYP11B2 (0.35) CYP2A6CYP2B6CYP3A4CYP2C19CYP2E1
SCHEMBL29974411 0.82 CYP2A6 (0.34) CYP2A6CYP2B6CYP3A4CYP2C19CYP2E1
SCHEMBL4342752 0.82 ADRB2 (0.41) CYP2A6CYP2B6CYP3A4CYP2C19CYP2E1
SCHEMBL29790356 0.82 CYP2A6 (0.38) CYP2A6CYP2B6CYP3A4CYP2C19CYP2E1
SCHEMBL114627 0.82 CYP2A6 (0.34) CYP2A6CYP2B6CYP3A4CYP2C19CYP2E1
SCHEMBL17000184 0.82 CYP2A6 (0.34) CYP2A6CYP2B6CYP3A4CYP2C19CYP2E1
SCHEMBL10104625 0.82 ADRB2 (0.41) CYP2A6CYP2B6CYP3A4CYP2C19CYP2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12479820-B2 Pyridin-3-yl derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2025-11-25 US disclosed
US-12043613-B2 Inhibitors of SARM1 DISARM THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-12043613-B2 Inhibitors of SARM1 DISARM THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
WO-2024126117-A1 PYRIMIDINONE DERIVATIVES AS PESTICIDAL COMPOUNDS BASF SE (DE) 2024-06-20 WO disclosed
WO-2024084448-A2 FUSED BICYCLIC COMPOUNDS AND THEIR USE AS MER AND AXL INHIBITORS DONG-A ST CO., LTD. (KR) 2024-04-25 WO disclosed
US-20240068009-A1 SUBSTITUTED IMIDAZO[1,2-a]PYRAZINES AS LUCIFERASE SUBSTRATES PROMEGA CORPORATION 2024-02-29 US disclosed
US-11912686-B2 LPA receptor antagonists and uses thereof GILEAD SCIENCES, INC. (US) 2024-02-27 US disclosed
WO-2024020517-A1 3-(6-PYRIDIN-3-YL)-2-[4-(4-METHYL-4H-1,2,4-TRIAZOL-3-YL)PIPERIDIN-1-YL]BENZONITRILE DERIVATIVES AND SIMILAR COMPOUNDS AS QPCTL AND QPCT INHIBITORS FOR THE TREATMENT OF CANCER 858 THERAPEUTICS, INC. (US) 2024-01-25 WO disclosed
US-20230382891-A1 GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE LIKE (QPCTL) PROTEIN INHIBITORS AND USES THEREOF BLACKSMITH MEDICINES, INC. 2023-11-30 US disclosed
US-20230382891-A1 GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE LIKE (QPCTL) PROTEIN INHIBITORS AND USES THEREOF BLACKSMITH MEDICINES, INC. 2023-11-30 US disclosed
US-20080051420-A1 New Compounds 317 ASTRAZENECA AB (SE) 2008-02-28 US disclosed
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity METHYLGENE, INC. (CA) 2008-01-03 US disclosed
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity METHYLGENE, INC. (CA) 2008-01-03 US disclosed
US-20070219228-A1 Aryl substituted imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY 2007-09-20 US disclosed
US-20070219228-A1 Aryl substituted imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY 2007-09-20 US disclosed
US-7253158-B2 Sulfonamides HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
WO-2007064797-A2 INHIBITORS OF C-MET AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-06-07 WO disclosed
EP-1697370-B1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2007-04-25 EP disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 US 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-20230382891-A1 GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE LIKE (QPCTL) PROTEIN INHIBITORS AND USES THEREOF QPCT, QPCTL, GLUL CYP2A6 4222/4885CYP2B6 4290/4885CYP3A4 4139/4885
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 CYP2A6 4426/4885CYP2B6 4485/4885CYP3A4 4279/4885
US-12043613-B2 Inhibitors of SARM1 SARM1, SMN1; SMN2, SARNP CYP2A6 4825/4885CYP2B6 4878/4885CYP3A4 4877/4885
US-20070219228-A1 Aryl substituted imidazonaphthyridines IL2, IRF3, EIF2AK2 CYP2A6 653/4885CYP2B6 771/4885CYP3A4 363/4885
US-20080051420-A1 New Compounds 317 PSEN2, PSEN1, MAPT CYP2A6 4222/4885CYP2B6 4389/4885CYP3A4 4235/4885
US-20240068009-A1 SUBSTITUTED IMIDAZO[1,2-a]PYRAZINES AS LUCIFERASE SUBSTRATES PGLS, AADAC, GLB1 CYP2A6 543/4885CYP2B6 1109/4885CYP3A4 2233/4885
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity HGF, ERBB2, MET CYP2A6 4628/4885CYP2B6 4529/4885CYP3A4 4549/4885
US-12479820-B2 Pyridin-3-yl derivatives LPAR1, LPAR3, LPAR2 CYP2A6 1003/4885CYP2B6 732/4885CYP3A4 1290/4885
US-11912686-B2 LPA receptor antagonists and uses thereof LPAR1, LPAR2, LPAR4 CYP2A6 3103/4885CYP2B6 3176/4885CYP3A4 4268/4885

“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.