SCHEMBL13650657

SCHEMBL13650657

Nc1nc2c(c(N3C[C@@H]4C(N)[C@@H]4C3)n1)CCCC2c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.64
HRH4 Q9H3N8 7/20 0.64
HRH2 P25021 5/20 0.42
EEF2K O00418 1/20 0.35

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
SCHEMBL13650656 0.87 HRH4 (0.64) HRH3HRH4HRH2EEF2K
SCHEMBL13650594 0.85 HRH3 (0.61) HRH3HRH4HRH2
SCHEMBL13650595 0.85 HRH3 (0.61) HRH3HRH4HRH2
SCHEMBL13650444 0.85 HRH4 (0.63) HRH3HRH4HRH2EEF2K
SCHEMBL13650476 0.85 HRH4 (0.72) HRH3HRH4HRH2
SCHEMBL13650500 0.84 HRH4 (0.65) HRH3HRH4HRH2
SCHEMBL13650478 0.84 HRH4 (0.65) HRH3HRH4HRH2
SCHEMBL13650596 0.84 HRH4 (0.59) HRH3HRH4HRH2EEF2K
SCHEMBL13650354 0.83 HRH4 (0.73) HRH3HRH4HRH2EEF2K
SCHEMBL603530 0.81 HRH4 (0.93) HRH3HRH4

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
US-8436005-B2 Macrocyclic pyrimidine derivatives ABBOTT LABORATORIES (US) 2013-05-07 US disclosed
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 HRH3 3555/4885HRH4 3370/4885HRH2 2787/4885

“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.