SCHEMBL217337

SCHEMBL217337

Nc1nc(Cc2ccccc2)nc2[nH]cnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.47
ADORA2A P29274 2/20 0.47
ADORA2B P29275 1/20 0.47
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ADORA3 P0DMS8 2/20 0.40
TAAR1 Q96RJ0 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
DHPS P49366 2/20 0.39
CDK1 P06493 1/20 0.38
LTB4R Q15722 1/20 0.37
AOC3 Q16853 1/20 0.37
PNP P00491 1/20 0.37

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
Edetic Acid SCHEMBL7770892 0.86 ADORA1 (0.37) ADORA1ADORA2AADORA2BPDE4APDE4B
SCHEMBL28320162 0.85 HTR6 (0.38) ADORA1ADORA2AADORA2BPDE4APDE4B
SCHEMBL28320167 0.84 MPO (0.43) ADORA1ADORA2AADORA2BADORA3TAAR1
SCHEMBL288235 0.84 ADORA1 (0.51) ADORA1ADORA2AADORA2BCYP1A2CYP3A4
SCHEMBL448638 0.84 CDC7 (0.37) ADORA1ADORA2AADORA2BPDE4APDE4B
SCHEMBL1422153 0.82 ALDH1A1 (0.47) ADORA1CYP2D6
SCHEMBL15300300 0.82 MPO (0.41) ADORA1ADORA2AADORA2BPDE4APDE4B
SCHEMBL16146156 0.82 PDE4A (0.47) ADORA1PDE4APDE4BPDE4CPDE4D
SCHEMBL16147020 0.82 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL16147209 0.81 PDE4A (0.52) ADORA2APDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3062619-B1 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC (US) 2019-07-24 EP claimed
US-9909169-B2 Allele-specific amplification of nucleic acids using blocking oligonucleotides for wild type suppression ROCHE MOLECULAR SYSTEMS, INC. (US) 2018-03-06 US claimed
EP-2934135-B1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-01-31 EP claimed
EP-3234180-A1 ALLELE-SPECIFIC AMPLIFICATION OF NUCLEIC ACIDS USING BLOCKING OLIGONUCLEOTIDES FOR WILD TYPE SUPPRESSION Roche Diagnostics GmbH (DE) 2017-10-25 EP claimed
EP-2931917-B1 PRIMERS WITH MODIFIED PHOSPHATE AND BASE IN ALLELE-SPECIFIC PCR ROCHE DIAGNOSTICS GMBH (DE) 2017-04-05 EP claimed
WO-2016096814-A1 ALLELE-SPECIFIC AMPLIFICATION OF NUCLEIC ACIDS USING BLOCKING OLIGONUCLEOTIDES FOR WILD TYPE SUPPRESSION ROCHE DIAGNOSTICS GMBH (DE) 2016-06-23 WO claimed
US-20160177372-A1 ALLELE-SPECIFIC AMPLIFICATION OF NUCLEIC ACIDS USING BLOCKING OLIGONUCLEOTIDES FOR WILD TYPE SUPPRESSION ROCHE MOLECULAR SYSTEMS, INC. 2016-06-23 US claimed
US-9238832-B2 Allele-specific amplification of nucleic acids ROCHE MOLECULAR SYSTEMS, INC. (US) 2016-01-19 US claimed
EP-2931917-A1 PRIMERS WITH MODIFIED PHOSPHATE AND BASE IN ALLELE-SPECIFIC PCR Roche Diagnostics GmbH (DE) 2015-10-21 EP claimed
CN-104447746-A Compound for activating AMPK and application thereof HUAAN MEDICAL CO LTD 2015-03-25 CN claimed
WO-2011069677-A1 ALLELE-SPECIFIC AMPLIFICATION OF NUCLEIC ACIDS ROCHE DIAGNOSTICS GMBH (DE) 2011-06-16 WO claimed
WO-2010046067-A9 IMPROVED ALLELE-SPECIFIC AMPLIFICATION ROCHE DIAGNOSTICS GMBH (DE) 2010-07-15 WO claimed
WO-2010046067-A1 IMPROVED ALLELE-SPECIFIC AMPLIFICATION ROCHE DIAGNOSTICS GMBH (DE) 2010-04-29 WO claimed
US-20100099110-A1 Allele-Specific Amplification ROCHE MOLECULAR SYSTEMS, INC. (US) 2010-04-22 US claimed
CN-100459850-C Method for saussurea involucrate callus induction and tissue culture sprout quick reproduction INST PROCESS ENG CAS (CN) 2009-02-11 CN claimed
CN-1907013-A Method for saussurea involucrate callus induction and tissue culture sprout quick reproduction INST PROCESS ENG CAS (CN) 2007-02-07 CN claimed
US-6677154-B2 PREPARTION OF GROWTH NUTRIENT FOR PLANTS; OBTAIN PLANT, REMOVE STEMS, PROPAGATE IN TISSUE CULTURE GIELIS JOHAN (BE) 2004-01-13 US claimed
US-20020086425-A1 MICROPROPAGATION, SYNTHETIC SEEDS AND GERMPLASM STORAGE OF BAMBOOS GIELIS JOHAN (BE) 2002-07-04 US claimed
WO-2000053727-A1 MICROPROPAGATION, SYNTHETIC SEEDS AND GERMPLASM STORAGE OF BAMBOOS GIELIS JOHAN (BE) 2000-09-14 WO claimed
US-5821126-A TRUE-TO-TYPE SUSPENSOR DEVELOPMENT OF CONIFER EMBROY LEADING TO DEVELOPMENT OF PLANTLETS AND PLANTS; GENETIC ENGINEERING; CULTURING THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-10-13 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20100099110-A1 Allele-Specific Amplification RNGTT, HLA-C, POLL ADORA1 520/4885ADORA2A 354/4885ADORA2B 482/4885

“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.