SCHEMBL179252

SCHEMBL179252

Cn1cnc2c(C(C)(C)C)ncnc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.56
ADORA2A P29274 1/20 0.56
YTHDC1 Q96MU7 1/20 0.53
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP3A4 P08684 1/20 0.44
PKM P14618 1/20 0.44
NFKB1 P19838 1/20 0.44
THPO P40225 1/20 0.44
PMP22 Q01453 1/20 0.44
CDK1 P06493 2/20 0.42
PI4KA P42356 3/20 0.40
PI4K2B Q8TCG2 3/20 0.40
PI4K2A Q9BTU6 3/20 0.40
PI4KB Q9UBF8 3/20 0.40
PIK3CD O00329 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPK1 P28482 1/20 0.35
PDE4A P27815 1/20 0.35

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
SCHEMBL4569753 0.79 PI4KA (0.64) ADORA1ADORA2AYTHDC1CYP1A2CYP2D6
SCHEMBL12775281 0.77 ADORA2A (0.60) ADORA1ADORA2ACYP1A2CYP2D6CDK1
SCHEMBL12775439 0.77 ADORA2A (0.60) ADORA1ADORA2ACDK1PI4KAPI4K2B
SCHEMBL24654972 0.74 CDK1 (0.41) ADORA1ADORA2AYTHDC1CDK1PDE4A
SCHEMBL14347524 0.74 CYP1A2 (0.51) ADORA1ADORA2ACYP1A2CYP2D6PI4KA
SCHEMBL12775430 0.74 ADORA2A (0.59) ADORA1ADORA2AYTHDC1CYP1A2CYP3A4
SCHEMBL441875 0.74 ADORA1 (0.62) ADORA1ADORA2AYTHDC1CYP1A2CYP2D6
SCHEMBL20857248 0.73 ADORA1 (0.51) ADORA1ADORA2AYTHDC1CYP1A2CYP2D6
SCHEMBL21562162 0.73 YTHDC1 (0.67) ADORA1ADORA2AYTHDC1CYP1A2CYP2D6
SCHEMBL12775412 0.73 PI4KA (0.51) ADORA1ADORA2ACYP1A2CYP2D6PI4KA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 US disclosed
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20200102311-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 US disclosed
US-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2018-04-12 US disclosed
US-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2018-04-12 US disclosed
US-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 US disclosed
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2011-02-24 US disclosed
US-20100331329-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2010-12-30 US disclosed
US-20100331329-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2010-12-30 US disclosed
US-20100179312-A1 CONVERTIBLE NUCLEOSIDE DERIVATIVES LAKSHMAN MAHESH K 2010-07-15 US disclosed
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE 2009-12-17 US disclosed
US-20090029991-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2009-01-29 US disclosed
US-20090029991-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2009-01-29 US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 US disclosed
US-7312211-B2 Pryanone compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2007-12-25 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-20100179312-A1 CONVERTIBLE NUCLEOSIDE DERIVATIVES PNP, NUDT1, NUDT14 ADORA1 231/4885ADORA2A 80/4885YTHDC1 414/4885
US-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP ADORA1 2576/4885ADORA2A 1529/4885YTHDC1 4511/4885
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB ADORA1 2085/4885ADORA2A 1048/4885YTHDC1 4875/4885
US-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A ADORA1 1782/4885ADORA2A 1252/4885YTHDC1 4883/4885
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CD ADORA1 1563/4885ADORA2A 868/4885YTHDC1 4859/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP ADORA1 2043/4885ADORA2A 1225/4885YTHDC1 4569/4885
US-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK ADORA1 283/4885ADORA2A 670/4885YTHDC1 4794/4885
US-20090029991-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC2 ADORA1 3835/4885ADORA2A 4526/4885YTHDC1 2938/4885
US-20200102311-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP ADORA1 2576/4885ADORA2A 1529/4885YTHDC1 4511/4885
US-20100331329-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC4 ADORA1 3341/4885ADORA2A 4431/4885YTHDC1 3716/4885
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A ADORA1 1525/4885ADORA2A 1051/4885YTHDC1 4885/4885
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB ADORA1 3908/4885ADORA2A 2591/4885YTHDC1 4624/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP ADORA1 2043/4885ADORA2A 1225/4885YTHDC1 4569/4885

“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.