SCHEMBL15077246

SCHEMBL15077246

Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccccc3Cl)cc2nc1N1CC[C@H](C)C1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.40
HSP90AB1 P08238 3/20 0.40
HCRTR1 O43613 12/20 0.39
HCRTR2 O43614 12/20 0.39
AVPR2 P30518 1/20 0.38
GPBAR1 Q8TDU6 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
SCHEMBL17445032 0.94 HCRTR1 (0.41) HSP90AA1HSP90AB1HCRTR1HCRTR2
SCHEMBL2737589 0.93 HSP90AA1 (0.39) HSP90AA1HSP90AB1
SCHEMBL15072947 0.91 HSP90AA1 (0.39) HSP90AA1HSP90AB1HCRTR1HCRTR2GPBAR1
SCHEMBL17445078 0.91 HSD11B1 (0.38) HSP90AA1HSP90AB1HCRTR1HCRTR2AVPR2
SCHEMBL17445082 0.91 HCRTR1 (0.38) HSP90AA1HSP90AB1HCRTR1HCRTR2
SCHEMBL17445035 0.91 HCRTR1 (0.39) HSP90AA1HSP90AB1HCRTR1HCRTR2GPBAR1
SCHEMBL15077222 0.91 HCRTR1 (0.38) HCRTR1HCRTR2AVPR2
SCHEMBL15077269 0.91 HCRTR1 (0.39) HCRTR1HCRTR2
SCHEMBL17444983 0.91 HSP90AA1 (0.41) HSP90AA1HSP90AB1HCRTR1HCRTR2
SCHEMBL17445038 0.91 HSP90AA1 (0.38) 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 6 patents. 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
US-9278975-B2 Pyrazolo[1,5-A]pyrimidines as antiviral agents GILEAD SCIENCES, INC. (US) 2016-03-08 US disclosed
US-20160045528-A1 COMBINATION THERAPY FOR TREATING A PARAMYXOVIRUS ALIOS BIOPHARMA, INC. 2016-02-18 US disclosed
US-20150166546-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. 2015-06-18 US disclosed
US-8946238-B2 Pyrazolo[1,5-A]pyrimidines as antiviral agents GILEAD SCIENCES, INC. (US) 2015-02-03 US disclosed
US-20130164280-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. (US) 2013-06-27 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 (4 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-20130164280-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS TYMP, ZC3HAV1, TYMS HSP90AA1 4569/4885HSP90AB1 4670/4885HCRTR1 4565/4885
US-20160045528-A1 COMBINATION THERAPY FOR TREATING A PARAMYXOVIRUS MAVS, EIF2AK2, SARS1 HSP90AA1 628/4885HSP90AB1 560/4885HCRTR1 4161/4885
US-20150166546-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS TYMP, ZC3HAV1, TYMS HSP90AA1 4569/4885HSP90AB1 4670/4885HCRTR1 4565/4885
US-20160235748-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS TYMP, ZC3HAV1, TYMS HSP90AA1 4569/4885HSP90AB1 4670/4885HCRTR1 4565/4885

“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.