SCHEMBL3008035

SCHEMBL3008035

OC(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCCN1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.58
CYP2D6 P10635 3/20 0.58
CYP2C19 P33261 2/20 0.58
KDM4E B2RXH2 1/20 0.58
NPC1 O15118 1/20 0.58
HPGD P15428 1/20 0.58
MAPK1 P28482 1/20 0.58
RAB9A P51151 1/20 0.58
TACR1 P25103 4/20 0.43
TP53 P04637 2/20 0.43
CYP3A4 P08684 2/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
THPO P40225 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GMNN O75496 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL5536844 1.00 CYP1A2 (0.58) CYP1A2CYP2D6CYP2C19KDM4ENPC1
SCHEMBL3008034 1.00 CYP1A2 (0.58) CYP1A2CYP2D6CYP2C19KDM4ENPC1
SCHEMBL20128490 0.92 CYP1A2 (0.51) CYP1A2CYP2D6CYP2C19KDM4ENPC1
SCHEMBL15281063 0.92 CYP1A2 (0.51) CYP1A2CYP2D6CYP2C19KDM4ENPC1
SCHEMBL15281197 0.92 CYP1A2 (0.51) CYP1A2CYP2D6CYP2C19KDM4ENPC1
SCHEMBL10326924 0.91 CYP1A2 (0.50) CYP1A2CYP2D6CYP2C19KDM4ENPC1
SCHEMBL10326851 0.91 CYP1A2 (0.50) CYP1A2CYP2D6CYP2C19KDM4ENPC1
SCHEMBL10327087 0.91 CYP1A2 (0.50) CYP1A2CYP2D6CYP2C19KDM4ENPC1
SCHEMBL20944816 0.89 CYP1A2 (0.51) CYP1A2CYP2D6CYP2C19KDM4ENPC1
SCHEMBL15517626 0.89 CYP1A2 (0.51) CYP1A2CYP2D6CYP2C19KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118931906-A 10-23DNAzyme capable of controlling light-operated bioorthogonal regulation and preparation method and application thereof 兰州交通大学 2024-11-12 CN claimed
US-20250340559-A1 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS INCYTE HOLDINGS CORP (US) 2025-11-06 US disclosed
US-12247030-B2 Process for preparing compositions comprising an enantiomeric excess of a substituted pyrrolo[2,3-d]pyrimidine INCYTE HOLDINGS CORPORATION (US) 2025-03-11 US disclosed
EP-4501410-A2 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS Incyte Holdings Corporation (US) 2025-02-05 EP disclosed
EP-3272738-B1 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS INCYTE HOLDINGS CORP (US) 2024-11-13 EP disclosed
CN-118931906-A 10-23DNAzyme capable of controlling light-operated bioorthogonal regulation and preparation method and application thereof 兰州交通大学 2024-11-12 CN disclosed
US-20230135188-A1 FE/CU-MEDIATED KETONE SYNTHESIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-05-04 US disclosed
US-20230128195-A1 SYNTHESIS OF HALICHONDRINS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-04-27 US disclosed
EP-4169924-A2 SYNTHESIS OF HALICHONDRINS President And Fellows Of Harvard College (US) 2023-04-26 EP disclosed
US-11548898-B2 Synthesis of halichondrins PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-01-10 US disclosed
EP-2578566-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-SUBSTITUTED-3-FORMYL-2-HYDROXYPROPANOIC ACID COMPOUND Sumitomo Chemical Company Limited (JP) 2013-04-10 EP disclosed
US-8410265-B2 Processes for preparing JAK inhibitors and related intermediate compounds INCYTE CORPORATION (US) 2013-04-02 US disclosed
US-8410265-B2 Processes for preparing JAK inhibitors and related intermediate compounds INCYTE CORPORATION (US) 2013-04-02 US disclosed
EP-2398774-A2 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS Incyte Corporation (US) 2011-12-28 EP disclosed
WO-2010140636-A1 ASYMMETRIC HYDROGENATION CATALYST 高砂香料工業株式会社 (JP) 2010-12-09 WO disclosed
US-20100190981-A1 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS INCYTE CORPORATION 2010-07-29 US disclosed
US-20100190981-A1 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS INCYTE CORPORATION 2010-07-29 US disclosed
WO-2010083283-A2 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS INCYTE CORPORATION (US) 2010-07-22 WO disclosed
WO-2009013553-A1 METHOD FOR RECOVERING DIPHENYLPROLINOL TYPE CATALYSTS WITH PHASE-TAG GROUPS, NEW CATALYSTS RECOVERABLE BY THIS METHOD AND THEIR USE H4 SEP KFT (HU) 2009-01-29 WO disclosed
US-20070276142-A1 Catalytic Asymmetric Synthesis of Optically Active Alpha-Halo-Carbonyl Compounds CHEMINOVA A/S (DK) 2007-11-29 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 (7 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-12247030-B2 Process for preparing compositions comprising an enantiomeric excess of a substituted pyrrolo[2,3-d]pyrimidine DPYD, TYMS, TYMP CYP1A2 297/4885CYP2D6 93/4885CYP2C19 250/4885
US-20070276142-A1 Catalytic Asymmetric Synthesis of Optically Active Alpha-Halo-Carbonyl Compounds CBR1, CBR3, HAO1 CYP1A2 55/4885CYP2D6 534/4885CYP2C19 565/4885
US-20230135188-A1 FE/CU-MEDIATED KETONE SYNTHESIS TKT, COASY, FECH CYP1A2 584/4885CYP2D6 1651/4885CYP2C19 657/4885
US-11548898-B2 Synthesis of halichondrins H1-3, NISCH, H1-5 CYP1A2 711/4885CYP2D6 2658/4885CYP2C19 1541/4885
US-20100190981-A1 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS JAK3, JAK1, JAK2 CYP1A2 1133/4885CYP2D6 1033/4885CYP2C19 471/4885
US-20250340559-A1 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS JAK3, JAK1, JAK2 CYP1A2 1133/4885CYP2D6 1033/4885CYP2C19 471/4885
US-20230128195-A1 SYNTHESIS OF HALICHONDRINS H1-3, NISCH, HDAC11 CYP1A2 708/4885CYP2D6 2623/4885CYP2C19 1535/4885

“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.