SCHEMBL2038563

SCHEMBL2038563

Nc1ncnc2nc(-c3cccs3)cc(-c3ccc(F)c(Br)c3)c12

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 12/20 0.51
▸ HPGD P15428 2/20 0.50
▸ PTK2B Q14289 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ PPARG P37231 3/20 0.47
▸ NR2E3 Q9Y5X4 3/20 0.47
▸ NCOR2 Q9Y618 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ MCL1 Q07820 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ POLB P06746 1/20 0.45
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL14635286 0.84 ADK (0.61) ADKHPGDPTK2BCYP1A2CYP2C9
SCHEMBL2039211 0.80 HPGD (0.57) ADKHPGDPTK2BCYP1A2CYP2C9
SCHEMBL2037254 0.79 ADK (0.53) ADKHPGDPTK2BCYP1A2CYP2C9
SCHEMBL2036104 0.79 HPGD (0.50) ADKHPGDPTK2BCYP1A2CYP2C9
SCHEMBL14635285 0.79 ADK (0.48) ADKHPGDPTK2BCYP1A2CYP2C9
SCHEMBL2038300 0.77 PPARG (0.54) ADKHPGDPTK2BCYP1A2CYP2C9
SCHEMBL2053727 0.77 ADK (0.73) ADKHPGDPTK2BCYP1A2CYP2C9
SCHEMBL2038548 0.76 PPARG (0.53) ADKHPGDPPARGNR2E3NCOR2
SCHEMBL8152583 0.76 PPARG (0.57) ADKHPGDPTK2BCYP1A2CYP2C9
SCHEMBL8143305 0.76 PPARG (0.54) ADKHPGDPTK2BCYP1A2CYP2C9

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 5 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
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 ADK 1/4885HPGD 2872/4885PTK2B 2478/4885

“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.

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