SCHEMBL8197295

SCHEMBL8197295

CCCCc1cc(-c2ccc(N(CC)CC)cc2)nc2ncnc(N)c12

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 6/20 0.49
▸ PPARG P37231 3/20 0.44
▸ NR2E3 Q9Y5X4 3/20 0.44
▸ NCOR2 Q9Y618 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ MCL1 Q07820 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ HPGD P15428 2/20 0.43
▸ PTK2B Q14289 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41

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
SCHEMBL8184046 0.97 ADK (0.52) ADKPPARGNR2E3NCOR2KDM4E
SCHEMBL8143431 0.96 ADK (0.51) ADKPPARGNR2E3NCOR2KDM4E
SCHEMBL2036085 0.90 ADK (0.61) ADK
SCHEMBL8214918 0.86 ADK (0.54) ADKPPARGNR2E3NCOR2KDM4E
SCHEMBL2036916 0.84 ADK (0.50) ADKPPARGNR2E3NCOR2KDM4E
SCHEMBL8146091 0.84 ADK (0.49) ADKPPARGNR2E3NCOR2KDM4E
SCHEMBL2036040 0.83 ADK (0.55) ADKPPARGNR2E3NCOR2KDM4E
SCHEMBL2033076 0.83 ADK (0.55) ADKPPARGNR2E3NCOR2KDM4E
SCHEMBL2039342 0.82 ADK (0.54) ADKPPARGNR2E3NCOR2KDM4E
SCHEMBL8140857 0.81 ADK (0.51) ADKPPARGNR2E3NCOR2KDM4E

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 3 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

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 1/4885PPARG 2375/4885NR2E3 4022/4885

“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.

Send feedback