SCHEMBL15073067

SCHEMBL15073067

Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cccc(C)c3C)cc2nc1N1CC[C@H](N)C1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 6/20 0.37
HCRTR2 O43614 6/20 0.37
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 2/20 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
SCHEMBL19447294 1.00 HCRTR1 (0.37) HCRTR1HCRTR2HSP90AA1HSP90AB1
SCHEMBL19447419 1.00 HCRTR1 (0.37) HCRTR1HCRTR2HSP90AA1HSP90AB1
SCHEMBL2737820 0.94 HSP90AA1 (0.38) HSP90AA1HSP90AB1
SCHEMBL2737703 0.94 HCRTR1 (0.40) HCRTR1HCRTR2HSP90AA1HSP90AB1
SCHEMBL2760260 0.93 HCRTR1 (0.33) HCRTR1HCRTR2
SCHEMBL19447307 0.93 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL15073045 0.93 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL2737801 0.93 HSP90AA1 (0.36) HCRTR1HCRTR2HSP90AA1HSP90AB1
SCHEMBL2737735 0.92 HCRTR1 (0.38) HCRTR1HCRTR2HSP90AA1HSP90AB1
SCHEMBL19447291 0.92 HCRTR1 (0.40) HCRTR1HCRTR2HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794611-B1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES INC (US) 2017-10-11 EP disclosed
US-20160235748-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. 2016-08-18 US disclosed
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-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-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-8946238-B2 Pyrazolo[1,5-A]pyrimidines as antiviral agents GILEAD SCIENCES, INC. (US) 2015-02-03 US disclosed
WO-2013096681-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. (US) 2013-06-27 WO disclosed
US-20130164280-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. (US) 2013-06-27 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 HCRTR1 4565/4885HCRTR2 4849/4885HSP90AA1 4569/4885
US-20160045528-A1 COMBINATION THERAPY FOR TREATING A PARAMYXOVIRUS MAVS, EIF2AK2, SARS1 HCRTR1 4161/4885HCRTR2 4221/4885HSP90AA1 628/4885
US-20150166546-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS TYMP, ZC3HAV1, TYMS HCRTR1 4565/4885HCRTR2 4849/4885HSP90AA1 4569/4885
US-20160235748-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS TYMP, ZC3HAV1, TYMS HCRTR1 4565/4885HCRTR2 4849/4885HSP90AA1 4569/4885

“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.