SCHEMBL2053889

SCHEMBL2053889

Nc1ncnc2nc(-c3ccc(N4CCOCC4)cc3)cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 3/20 0.55
▸ HPGD P15428 3/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ CASP1 P29466 1/20 0.53
▸ BLM P54132 1/20 0.53
▸ CASP7 P55210 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ PTK2B Q14289 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ PPARG P37231 1/20 0.47

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
SCHEMBL2053887 0.85 ADK (0.49) ADKHPGDKDM4EMEN1ALDH1A1
SCHEMBL8138607 0.85 ADK (0.67) ADKHPGDKDM4EMEN1ALDH1A1
SCHEMBL2041756 0.82 KMT2A (0.58) ADKHPGDKDM4EMEN1ALDH1A1
SCHEMBL8148160 0.81 ADK (0.60) ADKHPGDKDM4EMEN1ALDH1A1
SCHEMBL8147196 0.81 ADK (0.79) ADKHPGDKDM4EMEN1ALDH1A1
SCHEMBL2037128 0.80 ADK (0.64) ADKHPGDKDM4EMEN1ALDH1A1
SCHEMBL2039065 0.79 ADK (0.56) ADKHPGDKDM4EMEN1ALDH1A1
SCHEMBL8153716 0.78 ADK (0.59) ADKHPGDKDM4EMEN1ALDH1A1
SCHEMBL2042351 0.78 ADK (0.70) ADKHPGDKDM4EKMT2APTK2B
SCHEMBL8141586 0.78 ADK (0.56) ADKHPGDKDM4EMEN1ALDH1A1

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 2872/4885KDM4E 1516/4885

“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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