SCHEMBL2042343

SCHEMBL2042343

CN(CCc1ccccn1)c1ccc(-c2cc(C3CCCCC3)c3c(N)ncnc3n2)cn1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 8/20 0.58
▸ POLB P06746 2/20 0.41
▸ ESR1 P03372 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ NR2E3 Q9Y5X4 1/20 0.36
▸ NCOR2 Q9Y618 1/20 0.36

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
SCHEMBL8153922 0.90 ADK (0.45) ADKPOLBESR1HTTKDM4E
SCHEMBL2038470 0.88 ADK (0.59) ADK
SCHEMBL8139571 0.84 ADK (0.58) ADKPOLBESR1KDM4EPPARG
SCHEMBL2053384 0.83 ADK (0.76) ADK
SCHEMBL8193681 0.80 ADK (0.71) ADKKDM4E
SCHEMBL2035597 0.75 ADK (0.68) ADKKDM4E
SCHEMBL8153924 0.75 ESR1 (0.47) ADKPOLBESR1HTTKDM4E
SCHEMBL8147745 0.74 ADK (0.67) ADKPOLBKDM4EPPARGMCL1
SCHEMBL8214310 0.74 ADK (1.00) ADK
SCHEMBL8197181 0.74 ADK (1.00) ADK

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 1/4885POLB 409/4885ESR1 4669/4885

“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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