SCHEMBL13650467

SCHEMBL13650467

Nc1nc(NCCC2CCNC2)c2c(n1)C(c1ccccc1)CCC2

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 2/20 0.51
▸ HRH3 Q9Y5N1 2/20 0.51
▸ BRD4 O60885 2/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ KDM1A O60341 2/20 0.35
▸ MAOB P27338 2/20 0.35
▸ MAOA P21397 1/20 0.35
▸ HRH2 P25021 1/20 0.34
▸ ACP1 P24666 8/20 0.34
▸ APP P05067 1/20 0.34
▸ BRD3 Q15059 2/20 0.33

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
SCHEMBL13657250 0.90 HRH4 (0.53) HRH4HRH3BRD4IRAK4KDM1A
SCHEMBL13650465 0.90 HRH4 (0.53) HRH4HRH3BRD4IRAK4KDM1A
SCHEMBL13650470 0.86 HRH4 (0.57) HRH4HRH3BRD4KDM1AMAOB
SCHEMBL13650475 0.85 HRH4 (0.52) HRH4HRH3BRD4IRAK4KDM1A
SCHEMBL13650554 0.85 HRH3 (0.46) HRH4HRH3KDM1AMAOBMAOA
SCHEMBL13650647 0.85 HRH3 (0.51) HRH4HRH3HRH2APP
SCHEMBL13650456 0.85 HRH3 (0.53) HRH4HRH3BRD4KDM1AMAOB
SCHEMBL13650538 0.82 HRH4 (0.51) HRH4HRH3IRAK4HRH2APP
SCHEMBL13650542 0.80 HRH4 (0.48) HRH4HRH3HRH2ACP1APP
SCHEMBL13650531 0.79 HRH3 (0.53) HRH4HRH3HRH2APP

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436005-B2 Macrocyclic pyrimidine derivatives ABBOTT LABORATORIES (US) 2013-05-07 — — US disclosed
WO-2009123967-A1 5,6,7,8-TETRAHYDROQUINAZOLIN-2-AMINE DERIVATIVES AND RELATED COMPOUNDS AS HISTAMINE H4 RECEPTOR MODULATORS FOR THE TREATMENT OF ASTHMA ABBOTT LABORATORIES (US) 2009-10-08 — — WO disclosed
US-20090253678-A1 MACROCYCLIC PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2009-10-08 — — US disclosed
US-20090253678-A1 MACROCYCLIC PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2009-10-08 — — US 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-20090253678-A1 MACROCYCLIC PYRIMIDINE DERIVATIVES DPYD, TYMS, TYMP HRH4 3370/4885HRH3 3555/4885BRD4 514/4885

“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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