SCHEMBL2035586

SCHEMBL2035586

Nc1ncnc2nc(-c3ccc(F)cc3)cc(-c3cccc(Br)c3)c12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.77
PTK2B Q14289 2/20 0.77
CYP1A2 P05177 1/20 0.77
CYP2C9 P11712 1/20 0.77
CYP2C19 P33261 1/20 0.77
ADK P55263 10/20 0.73
KDM4E B2RXH2 3/20 0.68
PPARG P37231 3/20 0.68
NR2E3 Q9Y5X4 3/20 0.68
NCOR2 Q9Y618 3/20 0.68
MCL1 Q07820 2/20 0.68
NPSR1 Q6W5P4 1/20 0.68
POLB P06746 1/20 0.59
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58
MAPT P10636 1/20 0.58
ALOX15 P16050 1/20 0.58
TSHR P16473 1/20 0.58
CASP1 P29466 1/20 0.58

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
SCHEMBL8127996 0.91 ADK (0.78) HPGDPTK2BCYP1A2CYP2C9CYP2C19
SCHEMBL2039883 0.90 ADK (0.77) HPGDPTK2BCYP1A2CYP2C9CYP2C19
SCHEMBL8139237 0.90 ADK (0.76) HPGDPTK2BCYP1A2CYP2C9CYP2C19
SCHEMBL8128209 0.88 ADK (0.73) HPGDPTK2BCYP1A2CYP2C9CYP2C19
SCHEMBL2053382 0.88 ADK (0.73) HPGDPTK2BCYP1A2CYP2C9CYP2C19
SCHEMBL2041886 0.88 ADK (0.73) HPGDPTK2BCYP1A2CYP2C9CYP2C19
SCHEMBL8136472 0.88 ADK (0.73) HPGDPTK2BCYP1A2CYP2C9CYP2C19
SCHEMBL2039851 0.87 HPGD (0.89) HPGDPTK2BCYP1A2CYP2C9CYP2C19
SCHEMBL2032548 0.87 ADK (0.72) HPGDPTK2BCYP1A2CYP2C9CYP2C19
SCHEMBL2037506 0.85 ADK (0.72) HPGDPTK2BCYP1A2CYP2C9CYP2C19

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130023491-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-01-24 US disclosed
EP-2513298-A2 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE President and Fellows of Harvard College (US) 2012-10-24 EP disclosed
WO-2011075665-A2 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-06-23 WO disclosed
WO-2000023444-A1 5,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2000-04-27 WO disclosed
EP-0989986-A1 5,7-DISUBSTITUTED 4-AMINOPYRIDO 2,3-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS ADENOSINE KINASE INHIBITORS Abbott Laboratories (US) 2000-04-05 EP disclosed
WO-1998046605-A1 5,7-DISUBSTITUTED 4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS ADENOSINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 1998-10-22 WO 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 (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-20130023491-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE ADK, AHCY, IAPP HPGD 2872/4885PTK2B 2478/4885CYP1A2 4869/4885

“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.