SCHEMBL13150899

SCHEMBL13150899

CCc1c(C)cnc(CN2c3nc(N)ncc3NC(=O)[C@@H]2C)c1C

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 18/20 0.53
HSP90AB1 P08238 18/20 0.53
RPS6KA3 P51812 1/20 0.34

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
SCHEMBL3090816 0.85 HSP90AA1 (0.73) HSP90AA1HSP90AB1
SCHEMBL4238629 0.85 HSP90AA1 (0.73) HSP90AA1HSP90AB1
SCHEMBL3088831 0.85 HSP90AA1 (0.73) HSP90AA1HSP90AB1
SCHEMBL3096797 0.74 HSP90AA1 (0.63) HSP90AA1HSP90AB1
SCHEMBL3209440 0.74 HSP90AA1 (0.63) HSP90AA1HSP90AB1
SCHEMBL3096836 0.74 HSP90AA1 (0.63) HSP90AA1HSP90AB1
SCHEMBL3090525 0.73 HSP90AA1 (0.75) HSP90AA1HSP90AB1
SCHEMBL3093381 0.71 HSP90AA1 (0.60) HSP90AA1HSP90AB1
SCHEMBL3099920 0.71 HSP90AA1 (0.59) HSP90AA1HSP90AB1
SCHEMBL13150990 0.70 HSP90AA1 (0.58) HSP90AA1HSP90AB1

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-7799781-B2 5,6,7,8-tetrahydropteridine derivatives as HSP90 inhibitors ASTRAZENECA AB (SE) 2010-09-21 US disclosed
US-7799781-B2 5,6,7,8-tetrahydropteridine derivatives as HSP90 inhibitors ASTRAZENECA AB (SE) 2010-09-21 US disclosed
US-20080194572-A1 5,6,7,8-TETRAHYDROPTERIDINE DERIVATIVES AS HSP90 INHIBITORS ASTRAZENECA AB (SE) 2008-08-14 US disclosed
US-20080194572-A1 5,6,7,8-TETRAHYDROPTERIDINE DERIVATIVES AS HSP90 INHIBITORS ASTRAZENECA AB (SE) 2008-08-14 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-20080194572-A1 5,6,7,8-TETRAHYDROPTERIDINE DERIVATIVES AS HSP90 INHIBITORS HSP90AA1, HSP90AB1, HSP90AB2P HSP90AA1 1/4885HSP90AB1 2/4885RPS6KA3 813/4885

“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.