SCHEMBL13650670

SCHEMBL13650670

Nc1nc(OC[C@@H]2CCN2)c2c(n1)C(c1ccccc1)CCC2

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 2/20 0.50
▸ HRH3 Q9Y5N1 2/20 0.50
▸ HRH2 P25021 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ CCNB1 P14635 1/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CHRNB2 P17787 3/20 0.37
▸ CHRNA4 P43681 3/20 0.37
▸ CHRNA3 P32297 2/20 0.35
▸ CHRNA7 P36544 2/20 0.35
▸ CHRNA1 P02708 1/20 0.35
▸ CHRNG P07510 1/20 0.35
▸ CHRNB1 P11230 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRND Q07001 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
SCHEMBL13650581 0.94 HRH4 (0.50) HRH4HRH3HRH2SLC6A2HTR2A
SCHEMBL13650580 0.94 HRH4 (0.50) HRH4HRH3HRH2SLC6A2HTR2A
SCHEMBL13650585 0.93 HRH4 (0.50) HRH4HRH3HRH2SLC6A2HTR2A
SCHEMBL13650584 0.93 HRH4 (0.50) HRH4HRH3HRH2SLC6A2HTR2A
SCHEMBL13650531 0.78 HRH3 (0.53) HRH4HRH3HRH2
SCHEMBL13650579 0.77 HRH3 (0.49) HRH4HRH3
SCHEMBL13650647 0.77 HRH3 (0.51) HRH4HRH3HRH2
SCHEMBL13650664 0.76 HRH4 (0.53) HRH4HRH3HRH2SLC6A2CHRNB2
SCHEMBL13650593 0.74 HRH3 (0.47) HRH4HRH3HRH2
SCHEMBL13650589 0.74 HRH3 (0.47) HRH4HRH3HRH2

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 3555/4885HRH2 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.

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