SCHEMBL2033753

SCHEMBL2033753

N#Cc1cccc(-c2cc(C3CCCCC3)c3c(N)ncnc3n2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 2/20 0.60
▸ MAP4K4 O95819 1/20 0.43
▸ PIK3CD O00329 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ HCK P08631 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ MTOR P42345 1/20 0.41
▸ PIK3CG P48736 1/20 0.41
▸ EPHB4 P54760 1/20 0.41
▸ PRKDC P78527 1/20 0.41
▸ PI4KB Q9UBF8 1/20 0.41
▸ LRRK2 Q5S007 3/20 0.41
▸ XDH P47989 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ MCL1 Q07820 1/20 0.39

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
SCHEMBL8146517 0.88 ADK (0.45) ADKLRRK2
SCHEMBL2033755 0.79 PPARG (0.62) ADKMAP4K4PIK3CDABL1EGFR
SCHEMBL2035597 0.76 ADK (0.68) ADKKDM4EHPGD
SCHEMBL8147745 0.75 ADK (0.67) ADKKDM4EPOLBPPARGMCL1
SCHEMBL8197181 0.75 ADK (1.00) ADK
SCHEMBL8214310 0.75 ADK (1.00) ADK
SCHEMBL2053384 0.73 ADK (0.76) ADK
SCHEMBL2035551 0.72 ADK (0.57) ADKPIK3CDABL1EGFRHCK
SCHEMBL2038998 0.72 ADK (0.62) ADKKDM4EHPGD
SCHEMBL2039577 0.71 ADK (0.74) ADKKDM4EPOLBPPARGMCL1

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
WO-2000023444-A1 5,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2000-04-27 — — WO claimed
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 1/4885MAP4K4 564/4885PIK3CD 1423/4885

“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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