SCHEMBL5730009

SCHEMBL5730009

CCc1nc(C2(C)CCC(C)CC2)n2nc(-c3cccs3)[nH]c(=O)c12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.34
PKM P14618 3/20 0.34
HPGD P15428 1/20 0.34
ERCC1 P07992 6/20 0.34
FEN1 P39748 6/20 0.34
ERCC4 Q92889 6/20 0.34
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ADORA3 P0DMS8 2/20 0.34
PDE5A O76074 1/20 0.33
ADORA1 P30542 1/20 0.33
DNASE1 P24855 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL5883635 0.85 PDE5A (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2PDE5A
SCHEMBL5730051 0.82 PDE5A (0.44) KDM4EPKMHPGDERCC1FEN1
SCHEMBL5729824 0.81 CNR2 (0.36) KDM4EPKMHPGDERCC1FEN1
SCHEMBL5883597 0.81 PDE5A (0.38) HPGDALDH1A1MEN1KMT2APDE5A
SCHEMBL5730268 0.78 PDE5A (0.51) KDM4EPKMHPGDERCC1FEN1
SCHEMBL5730413 0.78 PDE5A (0.49) KDM4EPKMHPGDERCC1FEN1
SCHEMBL5729111 0.76 ADORA1 (0.44) KDM4EPKMHPGDERCC1FEN1
SCHEMBL5883977 0.75 KHK (0.34) MEN1KMT2AADORA3PDE5AADORA1
SCHEMBL5730854 0.74 PDE5A (0.43) KDM4EPKMHPGDERCC1FEN1
SCHEMBL5730856 0.74 PDE5A (0.43) KDM4EPKMHPGDERCC1FEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060293326-A1 2-Heteroaryl-imidazotriazinones and their use in the treatment of inflammatory or immune diseases BAYER HEALTHCARE AG (DE) 2006-12-28 US disclosed
EP-1399439-B1 2-HETEROARYL-IMIDAZOTRIAZINONES AND THEIR USE IN THE TREATMENT OF INFLAMMATORY OR IMMUNE DISEASES BAYER HEALTHCARE AG (DE) 2006-06-14 EP 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-20060293326-A1 2-Heteroaryl-imidazotriazinones and their use in the treatment of inflammatory or immune diseases REL, AHR, SULT2A1 KDM4E 2863/4885PKM 3696/4885HPGD 887/4885

“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.