SCHEMBL222644

SCHEMBL222644

Cc1cc(=O)[nH]c2cc([C@@H]3CCCCN3C(=O)OCc3ccccc3)nn12

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AADAT Q8N5Z0 1/20 0.48
▸ TMEM97 Q5BJF2 5/20 0.46
▸ SIGMAR1 Q99720 5/20 0.46
▸ CTSB P07858 1/20 0.42
▸ CTSS P25774 1/20 0.42
▸ CTSK P43235 1/20 0.42
▸ GFER P55789 1/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ FKBP1A P62942 3/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL15513225 1.00 AADAT (0.48) AADATTMEM97SIGMAR1CTSBCTSS
SCHEMBL19099965 0.87 AADAT (0.47) AADATTMEM97SIGMAR1CTSBCTSS
SCHEMBL221805 0.84 SIGMAR1 (0.47) AADATTMEM97SIGMAR1CTSBCTSS
SCHEMBL9986923 0.83 ALDH1A1 (0.37) NPSR1
SCHEMBL221048 0.80 AADAT (0.48) AADATTMEM97SIGMAR1GFERFKBP1A
SCHEMBL15957792 0.79 SIGMAR1 (0.49) AADATTMEM97SIGMAR1GFER
SCHEMBL14050894 0.79 AADAT (0.48) AADATTMEM97SIGMAR1GFERFKBP1A
SCHEMBL2738045 0.79 AADAT (0.39) AADATPARP1
SCHEMBL15958257 0.77 AADAT (0.48) AADATTMEM97SIGMAR1GFERFKBP1A
SCHEMBL17823266 0.75 ALDH1A1 (0.39) NPSR1

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180298011-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2018-10-18 — — US disclosed
US-9957275-B2 Pyrazolo[1,5-A]pyrimidines for antiviral treatment GILEAD SCIENCES, INC. (US) 2018-05-01 — — US disclosed
US-9957275-B2 Pyrazolo[1,5-A]pyrimidines for antiviral treatment GILEAD SCIENCES, INC. (US) 2018-05-01 — — US disclosed
US-20170362244-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-12-21 — — US disclosed
US-20170362244-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-12-21 — — US disclosed
US-20170362244-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-12-21 — — US disclosed
US-20170342079-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-11-30 — — US disclosed
US-20170342079-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-11-30 — — US disclosed
US-20170190708-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-07-06 — — US disclosed
US-20170190708-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-07-06 — — US disclosed
US-20140072554-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2014-03-13 — — US disclosed
US-20130273037-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2013-10-17 — — US disclosed
US-20130273037-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2013-10-17 — — US disclosed
US-8486938-B2 Pyrazolo[1,5-a]pyrimidines for antiviral treatment GILEAD SCIENCES, INC. (US) 2013-07-16 — — US disclosed
US-8486938-B2 Pyrazolo[1,5-a]pyrimidines for antiviral treatment GILEAD SCIENCES, INC. (US) 2013-07-16 — — US disclosed
US-8486938-B2 Pyrazolo[1,5-a]pyrimidines for antiviral treatment GILEAD SCIENCES, INC. (US) 2013-07-16 — — US disclosed
US-20120003215-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-01-05 — — US disclosed
US-20120003215-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-01-05 — — US disclosed
US-20120003215-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-01-05 — — US disclosed
WO-2011163518-A1 PYRAZOLO [1, 5 -A] PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. (US) 2011-12-29 — — WO 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 (7 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-20170362244-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS AADAT 632/4885TMEM97 3929/4885SIGMAR1 3564/4885
US-20170190708-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS AADAT 632/4885TMEM97 3929/4885SIGMAR1 3564/4885
US-20120003215-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS AADAT 632/4885TMEM97 3929/4885SIGMAR1 3564/4885
US-20140072554-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS AADAT 632/4885TMEM97 3929/4885SIGMAR1 3564/4885
US-20130273037-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT ZC3HAV1, SARS1, MAVS AADAT 805/4885TMEM97 3956/4885SIGMAR1 3578/4885
US-20170342079-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT ZC3HAV1, SARS1, MAVS AADAT 805/4885TMEM97 3956/4885SIGMAR1 3578/4885
US-20180298011-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS AADAT 632/4885TMEM97 3929/4885SIGMAR1 3564/4885

“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.

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