SCHEMBL12450273

SCHEMBL12450273

CC(C)Cc1cc(F)c(F)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
DPP4 P27487 2/20 0.33
MAOB P27338 1/20 0.33
RIPK1 Q13546 1/20 0.33
PTGS1 P23219 4/20 0.32
PTGS2 P35354 4/20 0.32
LMNA P02545 2/20 0.32
CYP2C9 P11712 2/20 0.32
AKR1C3 P42330 2/20 0.32
CXCR1 P25024 2/20 0.32
CXCR2 P25025 2/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
ALB P02768 1/20 0.32
ESR1 P03372 1/20 0.32
ALOX5 P09917 1/20 0.32
RARB P10826 1/20 0.32

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
SCHEMBL8737187 0.87 GABRA1 (0.33) GABRA1GABRB2
SCHEMBL6126235 0.83 GABRA1 (0.36) GABRA1GABRB2DPP4MAOBPTGS1
SCHEMBL14478295 0.81 SLC6A2 (0.46) HTR2A
SCHEMBL14478251 0.81 SLC6A2 (0.46) HTR2A
SCHEMBL10160063 0.81 GABRA1 (0.44) GABRA1GABRB2PTGS1PTGS2LMNA
SCHEMBL21503429 0.79 RIPK1 (0.34) DPP4MAOBRIPK1
SCHEMBL14227267 0.79 MEN1 (0.45) GABRA1GABRB2MAOBPTGS1PTGS2
SCHEMBL1312347 0.78 GABRA1 (0.46) GABRA1GABRB2PTGS1PTGS2LMNA
SCHEMBL26422772 0.78 GABRA1 (0.33) GABRA1GABRB2DPP4
SCHEMBL21503451 0.78 DBH (0.41) GABRA1GABRB2MAOBPTGS2HTR2A

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 21 patents — showing the first 20. 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-11225480-B2 Malic enzyme inhibitors SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-01-18 US disclosed
US-11059826-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-07-13 US disclosed
US-20210115038-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2021-04-22 US disclosed
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2019-10-24 US disclosed
US-9034850-B2 Gonadotropin releasing hormone receptor antagonist, preparation method thereof and pharmaceutical composition comprising the same SK CHEMICALS CO., LTD. (KR) 2015-05-19 US disclosed
US-20130137661-A1 Gonadotropin Releasing Hormone Receptor Antagonist, Preparation Method Thereof And Pharmaceutical Composition Comprising The Same SK CHEMICALS CO. LTD. (KR) 2013-05-30 US disclosed
US-20120316346-A1 SELENALZOLE DERIVATIVE HAVING LIGAND WHICH ACTIVATES PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR (PPAR), PREPARING METHOD THEREOF AND USAGE OF THE CHEMICAL COMPOUNDS SNU R & DB FOUNDATION (KR) 2012-12-13 US disclosed
US-20120316346-A1 SELENALZOLE DERIVATIVE HAVING LIGAND WHICH ACTIVATES PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR (PPAR), PREPARING METHOD THEREOF AND USAGE OF THE CHEMICAL COMPOUNDS SNU R & DB FOUNDATION (KR) 2012-12-13 US disclosed
US-20120238546-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2012-09-20 US disclosed
US-7893020-B2 can be coadministered with antimicrobial agents for treatment of infections caused by drug resistant bacteria; 2-Amino-N-{4-Amino-1-[-3-phenyl-1-(R)-(quinolin-3-ylcarbomoyl)-propylcarbamoyl]-butyl}succinamic acid; 2,5-Diamino-pentanoic acid [3-phenyl-1-(R)-(4-phenyl-thiazol-2-ylcarbamoyl)-propyl]-amide MPEX PHARMACEUTICALS, INC. (US) 2011-02-22 US disclosed
US-7879795-B2 can be coadministered with antimicrobial agents for treatment of infections caused by drug resistant bacteria; 2-Amino-N-{4-Amino-1-[-3-phenyl-1-(R)-(quinolin-3-ylcarbomoyl)-propylcarbamoyl]-butyl}succinamic acid; 2,5-Diamino-pentanoic acid [3-phenyl-1-(R)-(4-phenyl-thiazol-2-ylcarbamoyl)-propyl]-amide MPEX PHARMACEUTICALS, INC. (US) 2011-02-01 US disclosed
US-20100298381-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2010-11-25 US disclosed
WO-2009152166-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2009-12-17 WO disclosed
US-7595299-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-29 US disclosed
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-7169760-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-01-30 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 (11 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-20070155737-A1 Heterobicyclic metalloprotease inhibitors ADAMTS4, ADAMTS1, ADAMTS5 GABRA1 2177/4885GABRB2 1169/4885DPP4 24/4885
US-20130137661-A1 Gonadotropin Releasing Hormone Receptor Antagonist, Preparation Method Thereof And Pharmaceutical Composition Comprising The Same GNRHR, GHRHR, LHCGR GABRA1 285/4885GABRB2 262/4885DPP4 345/4885
US-11572364-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP GABRA1 3502/4885GABRB2 4068/4885DPP4 3183/4885
US-20210115038-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 GABRA1 4053/4885GABRB2 3995/4885DPP4 20/4885
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP GABRA1 3502/4885GABRB2 4068/4885DPP4 3183/4885
US-11225480-B2 Malic enzyme inhibitors ME1, RNASE1, ME2 GABRA1 3334/4885GABRB2 4004/4885DPP4 39/4885
US-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP GABRA1 3502/4885GABRB2 4068/4885DPP4 3183/4885
US-20120316346-A1 SELENALZOLE DERIVATIVE HAVING LIGAND WHICH ACTIVATES PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR (PPAR), PREPARING METHOD THEREOF AND USAGE OF THE CHEMICAL COMPOUNDS PPARG, PPARA, PPARD GABRA1 275/4885GABRB2 423/4885DPP4 1719/4885
US-20120238546-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 GABRA1 989/4885GABRB2 286/4885DPP4 677/4885
US-20100298381-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSENEN GABRA1 705/4885GABRB2 270/4885DPP4 299/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP GABRA1 3502/4885GABRB2 4068/4885DPP4 3183/4885

“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.