SCHEMBL6793126

SCHEMBL6793126

CCCc1cc(F)c(F)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
PKM P14618 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.34
MAOB P27338 1/20 0.34
PTGS2 P35354 3/20 0.33
CYP3A4 P08684 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 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
SCHEMBL8638622 0.89 TAAR1 (0.34) RIPK1CNR1CNR2PKMNPC1
SCHEMBL9295577 0.85 HPGD (0.48) NPC1RAB9AHSD17B10PTGS2CYP3A4
SCHEMBL27959518 0.83 PTGS2 (0.54) NPC1RAB9ATP53HSD17B10PTGS2
SCHEMBL16105773 0.83 CES2 (0.39) RIPK1RAPGEF4MAOBPTGS2CES2
SCHEMBL17487563 0.82 LPL (0.36) CNR1CNR2PKMNPC1RAB9A
SCHEMBL19703013 0.82 MAOB (0.43) PKMNPC1RAB9ATP53SMN1; SMN2
SCHEMBL18891839 0.81 PTGS2 (0.55) TP53HSD17B10PTGS2CYP3A4
SCHEMBL13064228 0.81 HTR2A (0.42) RIPK1CYP3A4NOS3NOS1NOS2
SCHEMBL13548301 0.81 ALDH1A1 (0.46) PTGS2CYP3A4MAPK1
SCHEMBL17487407 0.81 CTSL (0.36) RIPK1MAOBPTGS2NOS3NOS1

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 40 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
WO-2023195529-A1 URACIL DERIVATIVE HAVING VIRAL GROWTH INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION CONTAINING SAME 塩野義製薬株式会社 2023-10-12 WO disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-09-28 US disclosed
US-11572364-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-07 US disclosed
US-20220127266-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-04-28 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
WO-2021074898-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2021-04-22 WO disclosed
US-RE42013-E1 Macrocyclic modulators of the ghrelin receptor TRANZYME PHARMA INC. (CA) 2010-12-28 US disclosed
US-20090221689-A1 Macrocyclic Modulators of the Ghrelin Receptor TRANZYME PHARMA INC. 2009-09-03 US disclosed
US-20090170757-A1 METHODS OF USING MACROCYCLIC MODULATORS OF THE GHRELIN RECEPTOR TRANZYME PHARMA INC. 2009-07-02 US disclosed
US-7491695-B2 Therapy for endocrime disorders; gastrointestinal disorders; cardiovascular disorders; obesity; central nervous system disorders; antiproliferative agents ; using growth hormone secretagogue receptor TRANZYME PHARMA INC. (CA) 2009-02-17 US disclosed
US-7476653-B2 Using growth hormone secretagague receptors; endocrime disorders; gastrointestinal disorders; cardiovascular disorders; central nervous system disorders; antiproliferative agents; antiinflammatory agents TRANZYME PHARMA, INC. (CA) 2009-01-13 US disclosed
US-20080167352-A1 Sphingosine Kinase Inhibitors APOGEE BIOTECHNOLOGY CORPORATION (US) 2008-07-10 US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 US disclosed
US-7338961-B2 Sphingosine kinase inhibitors APOGEE BIOTECHNOLOGY CORPORATION (US) 2008-03-04 US disclosed
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-08 US disclosed
US-20070021331-A1 Methods of using macrocyclic modulators of the ghrelin receptor TRANZYME PHARMA INC. 2007-01-25 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 (13 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-20090221689-A1 Macrocyclic Modulators of the Ghrelin Receptor GHSR, GIPR, GHRHR RIPK1 1856/4885CNR1 180/4885CNR2 287/4885
US-20090170757-A1 METHODS OF USING MACROCYCLIC MODULATORS OF THE GHRELIN RECEPTOR GHSR, GHRHR, GIPR RIPK1 2459/4885CNR1 166/4885CNR2 252/4885
US-11572364-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP RIPK1 3424/4885CNR1 2459/4885CNR2 3006/4885
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE SPHK1, SPHK2, S1PR2 RIPK1 158/4885CNR1 1246/4885CNR2 884/4885
US-20210115038-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 RIPK1 2622/4885CNR1 4716/4885CNR2 4796/4885
US-11225480-B2 Malic enzyme inhibitors ME1, RNASE1, ME2 RIPK1 3282/4885CNR1 3579/4885CNR2 4520/4885
US-20220127266-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 RIPK1 2622/4885CNR1 4716/4885CNR2 4796/4885
US-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP RIPK1 3424/4885CNR1 2459/4885CNR2 3006/4885
US-20080167352-A1 Sphingosine Kinase Inhibitors SPHK1, SPHK2, S1PR1 RIPK1 55/4885CNR1 1055/4885CNR2 952/4885
US-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK RIPK1 3349/4885CNR1 423/4885CNR2 373/4885
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE OCIAD1, OCIAD2, SLCO4C1 RIPK1 2813/4885CNR1 3973/4885CNR2 4157/4885
US-20070021331-A1 Methods of using macrocyclic modulators of the ghrelin receptor GHSR, GHRHR, GIPR RIPK1 2459/4885CNR1 166/4885CNR2 252/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP RIPK1 3424/4885CNR1 2459/4885CNR2 3006/4885

“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.