SCHEMBL8254609

SCHEMBL8254609

CC(C)Cc1cc(F)c(F)cc1F

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.63
GABRA1 P14867 2/20 0.43
GABRB2 P47870 2/20 0.43
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL20223452 0.84 DPP4 (0.47) DPP4GABRA1GABRB2
SCHEMBL17069267 0.82 DPP4 (0.46) DPP4GABRA1GABRB2
SCHEMBL20223450 0.82 DPP4 (0.50) DPP4GABRA1GABRB2
SCHEMBL17069250 0.82 DPP4 (0.46) DPP4GABRA1GABRB2HTR2AHTR2C
SCHEMBL21684441 0.82 DPP4 (0.50) DPP4GABRA1GABRB2
SCHEMBL24164919 0.82 DPP4 (0.46) DPP4GABRA1GABRB2
SCHEMBL9987227 0.81 DPP4 (0.59) DPP4
SCHEMBL14071704 0.81 DPP4 (0.70) DPP4HTR2AHTR2C
SCHEMBL23434805 0.81 GABRA1 (0.53) DPP4GABRA1GABRB2
SCHEMBL21503614 0.79 DPP4 (0.57) DPP4

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3784669-B1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMA (US) 2023-10-25 EP disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-11572364-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-07 US disclosed
US-20220168383-A1 NEUROTENSINERGIC AGONISTS AND METHODS OF USING SAME PREVENTING OR TREATING PAIN SOCPRA SCIENCES SANTÉ ET HUMAINES S.E.C. (CA) 2022-06-02 US disclosed
WO-2021009568-A1 BENZENESULFONAMIDE DERIVATIVES AND USES THEREOF 2692372 ONTARIO, INC. (CA) 2021-01-21 WO disclosed
US-9676780-B2 Piperazine-substituted [1,2,4]triazolo[1,5-C]quinazolin-5-amine compounds with A2A antagonist properties MERCK SHARP & DOHME CORP. (US) 2017-06-13 US disclosed
US-9676780-B2 Piperazine-substituted [1,2,4]triazolo[1,5-C]quinazolin-5-amine compounds with A2A antagonist properties MERCK SHARP & DOHME CORP. (US) 2017-06-13 US disclosed
US-20160194330-A1 PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2016-07-07 US disclosed
US-7786122-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-31 US disclosed
US-20100179221-A1 FLUORINE-SUBSTITUTED AMPHETAMINES AND AMPHETAMINE DERIVATIVES AND USE THEREOF UNIVERSITAT TUBINGEN (DE) 2010-07-15 US disclosed
US-20090030039-A1 Piperidine Derivatives as Cxcr3 Receptor Antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2009-01-29 US disclosed
US-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-04-10 US disclosed
US-7300936-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-27 US disclosed
US-7300936-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-27 US disclosed
US-20070082908-A1 Bicycle pyrazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-12 US disclosed
US-20070082908-A1 Bicycle pyrazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-12 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 (8 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-11572364-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP DPP4 3183/4885GABRA1 3502/4885GABRB2 4068/4885
US-20090030039-A1 Piperidine Derivatives as Cxcr3 Receptor Antagonists CXCR3, CXCR1, CXCR2 DPP4 2330/4885GABRA1 532/4885GABRB2 1159/4885
US-20100179221-A1 FLUORINE-SUBSTITUTED AMPHETAMINES AND AMPHETAMINE DERIVATIVES AND USE THEREOF DBH, SLC6A3, COMT DPP4 2835/4885GABRA1 758/4885GABRB2 1334/4885
US-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS APP, APBA1, BACE1 DPP4 486/4885GABRA1 1419/4885GABRB2 1157/4885
US-20160194330-A1 PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES ADORA2A, ADORA1, ADORA3 DPP4 1943/4885GABRA1 204/4885GABRB2 348/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP DPP4 3183/4885GABRA1 3502/4885GABRB2 4068/4885
US-20220168383-A1 NEUROTENSINERGIC AGONISTS AND METHODS OF USING SAME PREVENTING OR TREATING PAIN VIP, NTSR2, VIPR2 DPP4 1186/4885GABRA1 417/4885GABRB2 367/4885
US-20070082908-A1 Bicycle pyrazole derivative DPP4, DPP7, DPP3 DPP4 1/4885GABRA1 1707/4885GABRB2 1124/4885

“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.