Sugi Predict

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SCHEMBL15077199

SCHEMBL15077199

COc1ccccc1C(=O)N1CCCC[C@H]1c1cc2nc(N3CC[C@H](C)C3)c(C)cn2n1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 13/20 0.40
▸ HCRTR2 O43614 13/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ HSP90AB1 P08238 1/20 0.40
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL18022007 0.94 HCRTR1 (0.40) HCRTR1HCRTR2HSP90AA1HSP90AB1
SCHEMBL15077257 0.94 HCRTR1 (0.40) HCRTR1HCRTR2HSP90AA1HSP90AB1
SCHEMBL17445026 0.93 HSP90AA1 (0.38) HCRTR1HCRTR2HSP90AA1HSP90AB1
SCHEMBL15077274 0.93 MAPT (0.39) HCRTR1HCRTR2MAPT
SCHEMBL17445068 0.93 MGLL (0.41) HCRTR1HCRTR2
SCHEMBL15077247 0.92 ALDH1A1 (0.42) HCRTR1HCRTR2HSP90AA1HSP90AB1MEN1
SCHEMBL15077276 0.92 HCRTR1 (0.40) HCRTR1HCRTR2HSP90AA1HSP90AB1MEN1
SCHEMBL17445033 0.92 HCRTR1 (0.39) HCRTR1HCRTR2HSP90AA1HSP90AB1
SCHEMBL15316904 0.92 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL2737589 0.92 HSP90AA1 (0.39) HSP90AA1HSP90AB1TP53

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 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.