SCHEMBL4440568

SCHEMBL4440568

Clc1nc(N2CCOCC2)c2ncn(CCN3CCCCC3)c2n1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.53
TLR7 Q9NYK1 9/20 0.49
TLR9 Q9NR96 5/20 0.47
HDAC1 Q13547 1/20 0.46
NT5E P21589 1/20 0.44
PDE10A Q9Y233 2/20 0.44
STAT3 P40763 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CNR2 P34972 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL25230525 0.85 HDAC1 (0.50) HRH3TLR7HDAC1NT5EPDE10A
SCHEMBL17078418 0.85 HDAC1 (0.47) HRH3TLR7TLR9HDAC1NT5E
SCHEMBL2395003 0.83 TLR7 (0.50) TLR7TLR9HDAC1NT5EPDE10A
SCHEMBL30439903 0.83 TLR7 (0.50) TLR7TLR9HDAC1NT5EPDE10A
SCHEMBL17078382 0.82 PDE10A (0.45) HRH3TLR7HDAC1NT5EPDE10A
SCHEMBL28474961 0.82 MTOR (0.51) HRH3TLR7HDAC1NT5EPDE10A
SCHEMBL9936540 0.81 HDAC1 (0.46) TLR7HDAC1NT5EPDE10ACNR2
SCHEMBL9936928 0.81 HDAC1 (0.46) HRH3TLR7HDAC1NT5EPDE10A
SCHEMBL12537200 0.80 TLR9 (0.48) HRH3TLR7TLR9KDM4EALDH1A1
SCHEMBL337171 0.80 CNR2 (0.45) HRH3TLR7HDAC1NT5EPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125815-A2 IMIDAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS PI3 KINASE AND MTOR INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2009-12-02 EP disclosed
WO-2008116129-A2 IMIDAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS PI3 KINASE AND MTOR INHIBITORS WYETH (US) 2008-09-25 WO disclosed
US-20080233127-A1 IMIDAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS PI3 KINASE AND MTOR INHIBITORS WYETH (US) 2008-09-25 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-20080233127-A1 IMIDAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, MTMR1 HRH3 3095/4885TLR7 2548/4885TLR9 1267/4885

“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.