SCHEMBL18022011

SCHEMBL18022011

Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc4ccccc4cc3O)cc2nc1N1CC[C@H](C)C1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 7/20 0.41
HSP90AB1 P08238 7/20 0.41
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL17444983 0.92 HSP90AA1 (0.41) HSP90AA1HSP90AB1
SCHEMBL18023409 0.91 HSP90AA1 (0.40) HSP90AA1HSP90AB1KDM4EALDH1A1HPGD
SCHEMBL2737589 0.91 HSP90AA1 (0.39) HSP90AA1HSP90AB1
SCHEMBL15077276 0.90 HCRTR1 (0.40) HSP90AA1HSP90AB1KDM4EALDH1A1HPGD
SCHEMBL17445000 0.90 HSP90AA1 (0.41) HSP90AA1HSP90AB1
SCHEMBL2737733 0.89 HCRTR1 (0.36) HSP90AA1HSP90AB1
SCHEMBL17444981 0.88 GRM5 (0.39) KDM4E
SCHEMBL15077246 0.88 HSP90AA1 (0.40) HSP90AA1HSP90AB1
SCHEMBL15316912 0.88 HSP90AA1 (0.37) HSP90AA1HSP90AB1
SCHEMBL15316902 0.88 GRM5 (0.37) KDM4EALDH1A1HPGDNPSR1

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-20160235748-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. 2016-08-18 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-20160235748-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS TYMP, ZC3HAV1, TYMS HSP90AA1 4569/4885HSP90AB1 4670/4885KDM4E 2068/4885

“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.