SCHEMBL2040290

SCHEMBL2040290

O=C1OCCN1c1cc[c]cn1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.36
IDH1 O75874 11/20 0.36
PIM1 P11309 2/20 0.33
TNKS O95271 1/20 0.33
EGLN2 Q96KS0 1/20 0.32
MTOR P42345 1/20 0.32
ATR Q13535 1/20 0.31
ATRIP Q8WXE1 1/20 0.31

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
SCHEMBL1031728 0.74 TNKS (0.42) TNKSEGLN2MTOR
SCHEMBL6097270 0.73 CRBN (0.51) IDH1PIM1
SCHEMBL37681 0.72 CNR2 (0.43) IDH1PIM1
SCHEMBL8235167 0.72 TDO2 (0.40) IDH1PIM1
SCHEMBL16454923 0.72 IDH1 (0.41) MAP4K1IDH1PIM1
SCHEMBL14923656 0.72 GRIN2D (0.41) MAP4K1IDH1PIM1MTOR
SCHEMBL9964663 0.71 DGAT1 (0.40) IDH1PIM1
SCHEMBL13424162 0.71 IDH1 (0.38) MAP4K1IDH1PIM1MTOR
SCHEMBL411695 0.71 AKR1C3 (0.46) MAP4K1IDH1PIM1MTOR
SCHEMBL2645587 0.71 MAP4K1 (0.39) MAP4K1IDH1PIM1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1252070-A 5,7-disubstituted 4-aminopyrido [2,3,-d] pyrimidine compounds and their use as adenosine kinase inhibitors ABBOTT LAB (US) 2000-05-03 CN claimed
WO-2000023444-A1 5,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2000-04-27 WO claimed
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 claimed
US-6030969-A ADENOSINE KINASE INHIBITORS; ANTIISCHEMIA,-INFLAMMATORY, -DIABETIC AGENTS; NEUROLOGICAL AND GASTROINTESTINAL DISORDERS; NOCIPERCEPTION, IMMUNOSUPPRESSION; SEPSIS ABBOTT LABORATORIES (US) 2000-02-29 US claimed
EP-0979230-A1 6,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS Abbott Laboratories (US) 2000-02-16 EP claimed
EP-0975633-A1 5,6,7-TRISUBSTITUTED-4-AMINOPYRIDOL 2,3-D]PYRIMIDINE COMPOUNDS Abbott Laboratories (US) 2000-02-02 EP claimed
WO-1998046604-A1 5,6,7-TRISUBSTITUTED-4-AMINOPYRIDOL[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 1998-10-22 WO claimed
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 claimed
WO-1998046603-A1 6,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 1998-10-22 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
CN-1252070-A 5,7-disubstituted 4-aminopyrido [2,3,-d] pyrimidine compounds and their use as adenosine kinase inhibitors ABBOTT LAB (US) 2000-05-03 CN disclosed
WO-2000023444-A1 5,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2000-04-27 WO disclosed
US-6030969-A ADENOSINE KINASE INHIBITORS; ANTIISCHEMIA,-INFLAMMATORY, -DIABETIC AGENTS; NEUROLOGICAL AND GASTROINTESTINAL DISORDERS; NOCIPERCEPTION, IMMUNOSUPPRESSION; SEPSIS ABBOTT LABORATORIES (US) 2000-02-29 US disclosed
EP-0979230-A1 6,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS Abbott Laboratories (US) 2000-02-16 EP disclosed
EP-0975633-A1 5,6,7-TRISUBSTITUTED-4-AMINOPYRIDOL 2,3-D]PYRIMIDINE COMPOUNDS Abbott Laboratories (US) 2000-02-02 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
WO-1998046604-A1 5,6,7-TRISUBSTITUTED-4-AMINOPYRIDOL[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 1998-10-22 WO disclosed
WO-1998046603-A1 6,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS 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 MAP4K1 535/4885IDH1 1534/4885PIM1 2721/4885

“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.