SCHEMBL13650618

SCHEMBL13650618

Nc1nc(NC[C@@H]2CCCN2)c2c(n1)C(c1ccccc1)CCC2

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 2/20 0.52
▸ HRH3 Q9Y5N1 2/20 0.51
▸ APP P05067 1/20 0.38
▸ PRKCI P41743 3/20 0.36
▸ HRH2 P25021 1/20 0.36
▸ MAOB P27338 2/20 0.36
▸ HTR6 P50406 2/20 0.36
▸ EHMT2 Q96KQ7 1/20 0.36
▸ IRAK4 Q9NWZ3 3/20 0.35
▸ SYK P43405 2/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ MAPK3 P27361 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ PRMT5 O14744 1/20 0.35
▸ EEF2K O00418 1/20 0.34

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
SCHEMBL13650537 1.00 HRH4 (0.52) HRH4HRH3APPPRKCIHRH2
SCHEMBL13650535 0.97 HRH4 (0.53) HRH4HRH3APPPRKCIHRH2
SCHEMBL13650531 0.94 HRH3 (0.53) HRH4HRH3APPPRKCIHRH2
SCHEMBL13650542 0.88 HRH4 (0.48) HRH4HRH3APPHRH2EEF2K
SCHEMBL13650538 0.87 HRH4 (0.51) HRH4HRH3APPHRH2IRAK4
SCHEMBL13650470 0.84 HRH4 (0.57) HRH4HRH3APPHRH2MAOB
SCHEMBL13650475 0.84 HRH4 (0.52) HRH4HRH3APPMAOBEHMT2
SCHEMBL13650647 0.83 HRH3 (0.51) HRH4HRH3APPHRH2EEF2K
SCHEMBL13650456 0.83 HRH3 (0.53) HRH4HRH3APPHRH2MAOB
SCHEMBL13650465 0.82 HRH4 (0.53) HRH4HRH3APPHRH2MAOB

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 3555/4885APP 2110/4885

“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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