SCHEMBL5432006

SCHEMBL5432006

O=c1[nH]cnc2c1nc(-c1ccc(Cl)cc1)n2CC1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE5A O76074 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
ALOX5 P09917 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CYP2D6 P10635 1/20 0.37
GHSR Q92847 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
KCNH2 Q12809 1/20 0.36
GRM2 Q14416 1/20 0.36

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
SCHEMBL5428700 0.83 ADORA2A (0.45) POLBKMT2APDE4APDE4BPDE4C
SCHEMBL5438910 0.81 NPC1 (0.52) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL5438382 0.80 ALDH1A1 (0.39) KMT2APDE4ACA12CA1CA2
SCHEMBL5429656 0.76 MEN1 (0.51) KMT2ACA12CA1CA2CA9
SCHEMBL5429558 0.73 MEN1 (0.40) KMT2ACA12CA1CA2CA9
SCHEMBL5767039 0.73 POLB (0.49) POLBKMT2AALDH1A1HPGDNPC1
SCHEMBL5434848 0.69 ALDH1A1 (0.47) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL5769417 0.68 ALDH1A1 (0.39) POLBKMT2AKDM4EALDH1A1PKM
SCHEMBL5768395 0.65 ADORA1 (0.48) KMT2AKDM4EALDH1A1HPGD
SCHEMBL4767190 0.65 PDE9A (0.39) POLBKMT2AKDM4EALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135454-A1 Bicyclic pyrimidin-4(3h)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1-receptor(vr1) BAYLISS TRACY 2007-06-14 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-20070135454-A1 Bicyclic pyrimidin-4(3h)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1-receptor(vr1) TRPV1, TRPV2, TRPV4 POLB 4218/4885KMT2A 4422/4885PDE5A 1686/4885

“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.