SCHEMBL15053137

SCHEMBL15053137

Cc1cn2nc(C3CCCCN3)cc2nc1N1CCC(NC(=O)O)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 2/20 0.38
OPRK1 P41145 5/20 0.36
OPRM1 P35372 3/20 0.36
OGFRL1 Q5TC84 3/20 0.36
AKT1 P31749 3/20 0.36
DYRK3 O43781 1/20 0.33
PIM3 Q86V86 1/20 0.33
SRPK1 Q96SB4 1/20 0.33
CSNK1G1 Q9HCP0 1/20 0.33
ACKR3 P25106 5/20 0.33
OPRD1 P41143 2/20 0.32
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
SUV39H2 Q9H5I1 1/20 0.31
EHMT2 Q96KQ7 1/20 0.31
EHMT1 Q9H9B1 1/20 0.31

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
SCHEMBL15053135 1.00 SMPD3 (0.38) SMPD3OPRK1OPRM1OGFRL1AKT1
SCHEMBL2738066 0.89 SUV39H2 (0.42) SUV39H2
SCHEMBL19447314 0.89 SUV39H2 (0.42) SUV39H2
SCHEMBL19677560 0.89 SUV39H2 (0.42) SUV39H2
SCHEMBL16807812 0.89 SUV39H2 (0.42) SUV39H2
SCHEMBL21279532 0.85 PIM1 (0.34)
SCHEMBL19730744 0.84 JAK3 (0.31)
SCHEMBL17827967 0.83 SUV39H2 (0.38) SUV39H2
SCHEMBL19099851 0.83 AKT1 (0.36) AKT1PIM3
SCHEMBL2760302 0.82 NPY5R (0.33) EHMT2EHMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2838900-B1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2019-08-21 EP disclosed
US-10174038-B2 Compounds and methods for antiviral treatment GILEAD SCIENCES, INC. (US) 2019-01-08 US disclosed
US-20170342079-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-11-30 US disclosed
EP-2794611-B1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES INC (US) 2017-10-11 EP disclosed
US-20170029427-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-02-02 US disclosed
US-9504689-B2 Compounds and methods for antiviral treatment GILEAD SCIENCES, INC. (US) 2016-11-29 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-20150238501-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2015-08-27 US disclosed
US-20150166546-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. 2015-06-18 US disclosed
EP-2838900-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT Gilead Sciences, Inc. (US) 2015-02-25 EP disclosed
US-8946238-B2 Pyrazolo[1,5-A]pyrimidines as antiviral agents GILEAD SCIENCES, INC. (US) 2015-02-03 US disclosed
EP-2794611-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS Gilead Sciences, Inc. (US) 2014-10-29 EP disclosed
WO-2013158776-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2013-10-24 WO 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

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-20130164280-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS TYMP, ZC3HAV1, TYMS SMPD3 1685/4885OPRK1 4236/4885OPRM1 4659/4885
US-20150238501-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT ZC3HAV1, SARS1, MAVS SMPD3 179/4885OPRK1 4569/4885OPRM1 4693/4885
US-20170342079-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT ZC3HAV1, SARS1, MAVS SMPD3 179/4885OPRK1 4569/4885OPRM1 4693/4885
US-20150166546-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS TYMP, ZC3HAV1, TYMS SMPD3 1685/4885OPRK1 4236/4885OPRM1 4659/4885
US-20170029427-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT ZC3HAV1, SARS1, MAVS SMPD3 179/4885OPRK1 4569/4885OPRM1 4693/4885
US-20160235748-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS TYMP, ZC3HAV1, TYMS SMPD3 1685/4885OPRK1 4236/4885OPRM1 4659/4885
US-10174038-B2 Compounds and methods for antiviral treatment ZC3HAV1, SARS1, MAVS SMPD3 179/4885OPRK1 4569/4885OPRM1 4693/4885

“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.