SCHEMBL15317093

SCHEMBL15317093

Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NC(=O)N(C)C)cc2nc1N1CC[C@H](N)C1

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HCRTR1 O43613 3/20 0.33
HCRTR2 O43614 3/20 0.33
IRAK4 Q9NWZ3 1/20 0.33

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
SCHEMBL21279472 1.00 NPC1 (0.33) NPC1RAB9AHCRTR1HCRTR2IRAK4
SCHEMBL2738171 0.93 HCRTR1 (0.34) HCRTR1HCRTR2IRAK4
SCHEMBL17523362 0.92 ALDH1A1 (0.35) NPC1RAB9A
SCHEMBL21279601 0.92 F10 (0.37) NPC1RAB9AHCRTR1HCRTR2
SCHEMBL2737846 0.92 MAPT (0.35) HCRTR1HCRTR2
SCHEMBL15507588 0.92 MAPT (0.39)
SCHEMBL2738161 0.92 MAPT (0.39)
SCHEMBL15316957 0.91 HRH4 (0.34) NPC1RAB9AHCRTR1HCRTR2
SCHEMBL21279471 0.90 HCRTR1 (0.33) HCRTR1HCRTR2IRAK4
SCHEMBL17521707 0.90 IRAK1 (0.34) NPC1RAB9AHCRTR1HCRTR2IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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-9504689-B2 Compounds and methods for antiviral treatment GILEAD SCIENCES, INC. (US) 2016-11-29 US disclosed
US-20150238501-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2015-08-27 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-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
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-20130273037-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT ZC3HAV1, SARS1, MAVS NPC1 100/4885RAB9A 3254/4885HCRTR1 3438/4885
US-20150238501-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT ZC3HAV1, SARS1, MAVS NPC1 100/4885RAB9A 3254/4885HCRTR1 3438/4885
US-20170342079-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT ZC3HAV1, SARS1, MAVS NPC1 100/4885RAB9A 3254/4885HCRTR1 3438/4885
US-20170029427-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT ZC3HAV1, SARS1, MAVS NPC1 100/4885RAB9A 3254/4885HCRTR1 3438/4885
US-10174038-B2 Compounds and methods for antiviral treatment ZC3HAV1, SARS1, MAVS NPC1 100/4885RAB9A 3254/4885HCRTR1 3438/4885

“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.