SCHEMBL799362

SCHEMBL799362

CCN1Cc2cncc(C(C)C)c2C1=O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.41
PARP1 P09874 2/20 0.32
IDH1 O75874 4/20 0.31
ALOX15 P16050 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
PARP2 Q9UGN5 1/20 0.30

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
SCHEMBL799368 0.77 HSP90AB1 (0.50) HSP90AB1PARP1ALOX15LMNAHTT
SCHEMBL17050409 0.76 IDH1 (0.41) HSP90AB1IDH1
SCHEMBL29620470 0.67 ADAM17 (0.34) IDH1
SCHEMBL29620459 0.67 IDH1 (0.40) IDH1ALOX15
SCHEMBL17050410 0.64 HSP90AB1 (0.34) HSP90AB1IDH1
SCHEMBL12545311 0.61 HPGD (0.42) HSP90AB1IDH1LMNA
SCHEMBL17050405 0.61 IDH1 (0.47) HSP90AB1IDH1HTT
SCHEMBL21481251 0.61 IDH1 (0.41) HSP90AB1IDH1LMNA
SCHEMBL805483 0.61 PARP1 (0.51) PARP1ALOX15LMNAHTTPARP2
SCHEMBL22216371 0.61 DRD2 (0.34)

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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 HSP90AB1 2956/4885PARP1 4529/4885IDH1 1960/4885

“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.