SCHEMBL801223

SCHEMBL801223

COc1c(F)cc(C(C)C)cc1F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EIF4A3 P38919 1/20 0.41
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
CACNA1H O95180 1/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
HDAC4 P56524 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
TUBB1 Q9H4B7 4/20 0.34
DBH P09172 1/20 0.34
ACACB O00763 1/20 0.34
APP P05067 1/20 0.33
CYP2C19 P33261 1/20 0.33
PTGS2 P35354 1/20 0.33
NFE2L2 Q16236 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
ACHE P22303 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
SCHEMBL12190511 0.87 EIF4A3 (0.33) EIF4A3GABRA1GABRB2CACNA1HHDAC4
SCHEMBL12191140 0.86 PTGS2 (0.34) EIF4A3GABRA1GABRB2CACNA1HHDAC4
SCHEMBL31063174 0.86 CA2 (0.41) EIF4A3GABRA1GABRB2HDAC4HDAC8
SCHEMBL9957836 0.86 CA2 (0.41) EIF4A3GABRA1GABRB2HDAC4HDAC8
SCHEMBL31063173 0.82 EIF4A3 (0.34) EIF4A3GABRA1GABRB2CACNA1HTUBB1
SCHEMBL507050 0.82 PDGFRB (0.33) PDGFRBPDGFRATUBB1DBHACACB
SCHEMBL21766257 0.80 PDE2A (0.39) EIF4A3GABRA1GABRB2
SCHEMBL24974307 0.79 ALDH1A1 (0.35) PDGFRBPDGFRAHDAC4HDAC8TUBB1
SCHEMBL10838446 0.79 TUBB1 (0.38) PDGFRBPDGFRATUBB1DBHACACB
SCHEMBL8855427 0.78 HMGCR (0.43) TUBB1APPCYP2C19PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023230038-A1 PIPERIDINYL-METHYLPURINE PYRIMIDINES AND RELATED COMPOUNDS AND THEIR USE IN TREATING DISEASES AND CONDITIONS K36 THERAPEUTICS, INC. (US) 2023-11-30 WO disclosed
WO-2023230026-A1 PIPERIDINYL-METHYLPURINE BENZENES AND RELATED COMPOUNDS AND THEIR USE IN TREATING DISEASES AND CONDITIONS K36 THERAPEUTICS, INC. (US) 2023-11-30 WO disclosed
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
WO-2023183520-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER A2A PHARMACEUTICALS, INC. (US) 2023-09-28 WO disclosed
US-20230183219-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2023-06-15 US disclosed
US-20230135635-A1 INHIBITORS OF ULK1/2 AND METHODS OF USING SAME Sanford Burnham Prebys Medical Discovery Institute 2023-05-04 US disclosed
US-20230135635-A1 INHIBITORS OF ULK1/2 AND METHODS OF USING SAME Sanford Burnham Prebys Medical Discovery Institute 2023-05-04 US disclosed
US-11572364-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-07 US disclosed
US-8030309-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-04 US disclosed
US-7879851-B2 such as (E)-3-[2-(1-{[2-(5-Bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-1H-indole-6-carbonyl]-amino}-cyclobutyl)-3-methyl-3H-benzoimidazol-5-yl]-acrylic Acid, used for the treatment of hepatitis C virus infections BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-01 US disclosed
US-20110015203-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-20 US disclosed
WO-2010129049-A1 BENZOFURAN-4,5-DIONES AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2010-11-11 WO disclosed
US-7582770-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-01 US disclosed
US-20090170859-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-02 US disclosed
WO-2007087488-A2 INDOLE SULFONAMIDE MODULATORS OF PROGESTERONE RECEPTORS ELI LILLY AND COMPANY (US) 2007-08-02 WO disclosed
US-7238692-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-07-03 US disclosed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US disclosed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (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 (6 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-20230183219-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM3, CHRM2, CHRM4 EIF4A3 4609/4885GABRA1 415/4885GABRB2 703/4885
US-11572364-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP EIF4A3 3472/4885GABRA1 3502/4885GABRB2 4068/4885
US-20230135635-A1 INHIBITORS OF ULK1/2 AND METHODS OF USING SAME ULK2, ULK1, ULK3 EIF4A3 896/4885GABRA1 3273/4885GABRB2 2772/4885
US-20090170859-A1 Viral Polymerase Inhibitors POLR2A, POLR1E, RPP30 EIF4A3 889/4885GABRA1 3007/4885GABRB2 2836/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP EIF4A3 3472/4885GABRA1 3502/4885GABRB2 4068/4885
US-20110015203-A1 Viral Polymerase Inhibitors POLR2A, POLR1E, RPP30 EIF4A3 889/4885GABRA1 3007/4885GABRB2 2836/4885

“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.