SCHEMBL13650534

SCHEMBL13650534

CN1CCCC1CCNc1nc(N)nc2c1CCCC2c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.49
▸ HRH2 P25021 2/20 0.49
▸ HRH1 P35367 1/20 0.49
▸ HRH4 Q9H3N8 2/20 0.48
▸ ACKR3 P25106 1/20 0.41
▸ ACP1 P24666 2/20 0.40
▸ METAP2 P50579 1/20 0.39
▸ CAMK2D Q13557 1/20 0.39
▸ RAD52 P43351 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ ERAP1 Q9NZ08 1/20 0.37
▸ SLC2A1 P11166 1/20 0.36
▸ KAT2B Q92831 1/20 0.35
▸ NMT1 P30419 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
SCHEMBL13650528 0.83 HRH3 (0.52) HRH3HRH2HRH1HRH4ACP1
SCHEMBL13650525 0.83 HRH3 (0.52) HRH3HRH2HRH4ACP1KAT2B
SCHEMBL13650527 0.81 HRH3 (0.50) HRH3HRH2HRH1HRH4ACP1
SCHEMBL13650529 0.81 HRH3 (0.50) HRH3HRH2HRH1HRH4ACP1
SCHEMBL13650530 0.80 HRH3 (0.49) HRH3HRH2HRH1HRH4ACP1
SCHEMBL13650647 0.80 HRH3 (0.51) HRH3HRH2HRH4METAP2
SCHEMBL13650554 0.80 HRH3 (0.46) HRH3HRH2HRH4
SCHEMBL13650479 0.79 HRH4 (0.50) HRH3HRH2HRH4METAP2
SCHEMBL13650467 0.78 HRH4 (0.51) HRH3HRH2HRH4ACP1
SCHEMBL13650538 0.78 HRH4 (0.51) HRH3HRH2HRH1HRH4METAP2

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 3555/4885HRH2 2787/4885HRH1 3125/4885

“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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