SCHEMBL15077274

SCHEMBL15077274

COc1cc(C)ccc1C(=O)N1CCCC[C@H]1c1cc2nc(N3CC[C@H](C)C3)c(C)cn2n1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
HCRTR1 O43613 7/20 0.39
HCRTR2 O43614 7/20 0.39
ROCK2 O75116 1/20 0.38

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
SCHEMBL15316904 0.95 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL17445033 0.93 HCRTR1 (0.39) HCRTR1HCRTR2ROCK2
SCHEMBL15077199 0.93 HCRTR1 (0.40) MAPTHCRTR1HCRTR2
SCHEMBL19447570 0.92 MAPT (0.42) MAPTTHRBHCRTR1HCRTR2ROCK2
SCHEMBL19447245 0.92 MAPT (0.42) MAPTTHRBHCRTR1HCRTR2ROCK2
SCHEMBL15316903 0.92 HCRTR2 (0.38) HCRTR1HCRTR2
SCHEMBL2737739 0.92 MAPT (0.39) MAPTTHRBHCRTR1HCRTR2ROCK2
SCHEMBL19447568 0.91 MAPT (0.42) MAPTTHRBHCRTR1HCRTR2ROCK2
SCHEMBL15077276 0.90 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL17445000 0.90 HSP90AA1 (0.41) HCRTR1HCRTR2

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 MAPT 3695/4885THRB 4222/4885HCRTR1 4565/4885
US-20160045528-A1 COMBINATION THERAPY FOR TREATING A PARAMYXOVIRUS MAVS, EIF2AK2, SARS1 MAPT 4258/4885THRB 1940/4885HCRTR1 4161/4885
US-20150166546-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS TYMP, ZC3HAV1, TYMS MAPT 3695/4885THRB 4222/4885HCRTR1 4565/4885
US-20160235748-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS TYMP, ZC3HAV1, TYMS MAPT 3695/4885THRB 4222/4885HCRTR1 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.