SCHEMBL10144780

SCHEMBL10144780

Cc1cc(-c2cnc(C3CCCN3C(=O)OC(C)(C)C)[nH]2)cc(C)c1C#Cc1ccc2nc(C3CCCC3)[nH]c2c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.41
HCRTR1 O43613 12/20 0.41
HCRTR2 O43614 12/20 0.41
CHEK2 O96017 1/20 0.41
PRCP P42785 3/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL10145720 0.92 CHEK2 (0.44) HPGDSHCRTR1HCRTR2CHEK2PRCP
SCHEMBL10144769 0.89 HPGDS (0.46) HPGDSHCRTR1HCRTR2CHEK2PRCP
SCHEMBL16438131 0.89 HPGDS (0.46) HPGDSHCRTR1HCRTR2CHEK2PRCP
SCHEMBL13171583 0.87 CYP3A4 (0.45) HPGDSHCRTR1HCRTR2CHEK2PRCP
SCHEMBL12068463 0.87 CYP3A4 (0.45) HPGDSHCRTR1HCRTR2CHEK2PRCP
SCHEMBL16438132 0.85 HPGDS (0.39) HPGDSHCRTR1HCRTR2CHEK2PRCP
SCHEMBL10144773 0.85 HPGDS (0.39) HPGDSHCRTR1HCRTR2CHEK2PRCP
SCHEMBL16405113 0.84 MLLT1 (0.42) HPGDSHCRTR1HCRTR2CHEK2PRCP
SCHEMBL16441302 0.83 HCRTR1 (0.41) HPGDSHCRTR1HCRTR2CHEK2PRCP
SCHEMBL16001548 0.82 HPGDS (0.49) HPGDSHCRTR1HCRTR2CHEK2PRCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150038501-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-8865756-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-10-21 US disclosed
US-20130296311-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-07 US disclosed
US-20120115855-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-10 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 (3 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-20130296311-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 HPGDS 2085/4885HCRTR1 4807/4885HCRTR2 4836/4885
US-20150038501-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 HPGDS 2085/4885HCRTR1 4807/4885HCRTR2 4836/4885
US-20120115855-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 HPGDS 2085/4885HCRTR1 4807/4885HCRTR2 4836/4885

“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.