SCHEMBL15316902

SCHEMBL15316902

Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccccc3)cc2nc1N1CC[C@H](C)C1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.37
MAPK1 P28482 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PRMT5 O14744 1/20 0.35
ACHE P22303 1/20 0.35
GAA P10253 1/20 0.35
PARP14 Q460N5 1/20 0.35
PARP10 Q53GL7 1/20 0.35
SMO Q99835 2/20 0.34

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
SCHEMBL17445095 0.95 GRM5 (0.40) GRM5MAPK1HPGDKDM4EALDH1A1
SCHEMBL2737587 0.93 GRM5 (0.44) GRM5HPGDHTTL3MBTL1
SCHEMBL2737589 0.91 HSP90AA1 (0.39)
SCHEMBL21279888 0.91 GRM5 (0.40) GRM5MAPK1HPGDKDM4EALDH1A1
SCHEMBL19099927 0.91 GRM5 (0.38) GRM5KDM4EALDH1A1HTTPRMT5
SCHEMBL17445017 0.91 FASN (0.36) GRM5HPGDGAA
SCHEMBL2737767 0.91 GRM5 (0.37) GRM5MAPK1HPGDKDM4EALDH1A1
SCHEMBL2737590 0.90 GRM5 (0.34) GRM5
SCHEMBL18022019 0.90 HCRTR1 (0.39) GRM5HPGDKDM4EALDH1A1MEN1
SCHEMBL19099847 0.90 GRM5 (0.36) GRM5PARP14PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170342079-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-11-30 US 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-20160045528-A1 COMBINATION THERAPY FOR TREATING A PARAMYXOVIRUS ALIOS BIOPHARMA, INC. 2016-02-18 US disclosed
US-9238039-B2 Pyrazolo[1,5-A]pyrimidines for antiviral treatment GILEAD SCIENCES, INC. (US) 2016-01-19 US disclosed
US-20150238501-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2015-08-27 US disclosed
US-8980878-B2 Compounds and methods for antiviral treatment GILEAD SCIENCES, INC. (US) 2015-03-17 US disclosed
US-20130273037-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2013-10-17 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 (5 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-20160045528-A1 COMBINATION THERAPY FOR TREATING A PARAMYXOVIRUS MAVS, EIF2AK2, SARS1 GRM5 2184/4885MAPK1 4737/4885HPGD 2666/4885
US-20130273037-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT ZC3HAV1, SARS1, MAVS GRM5 4481/4885MAPK1 4565/4885HPGD 2066/4885
US-20150238501-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT ZC3HAV1, SARS1, MAVS GRM5 4481/4885MAPK1 4565/4885HPGD 2066/4885
US-20170342079-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT ZC3HAV1, SARS1, MAVS GRM5 4481/4885MAPK1 4565/4885HPGD 2066/4885
US-20170029427-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT ZC3HAV1, SARS1, MAVS GRM5 4481/4885MAPK1 4565/4885HPGD 2066/4885

“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.