SCHEMBL8138145

SCHEMBL8138145

COCCN(C)c1ccc(-c2cc(-c3cccc(Br)c3)c3c(N)ncnc3n2)cn1

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADK P55263 15/20 0.75
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 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

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
SCHEMBL8139515 0.89 ADK (0.61) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL2034719 0.89 ADK (0.63) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL2037724 0.88 ADK (0.73) ADKKDM4EKMT2A
SCHEMBL8144366 0.86 ADK (1.00) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL8194016 0.85 ADK (0.73) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL8193681 0.85 ADK (0.71) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL8137443 0.83 ADK (0.83) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL8138141 0.83 ADK (0.76) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL8143590 0.82 ADK (0.81) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL8207402 0.82 ADK (1.00) ADKKDM4EMEN1ALDH1A1MAPT

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
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
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 ADK 1/4885KDM4E 1516/4885MEN1 1636/4885

“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.