SCHEMBL788374

SCHEMBL788374

CC(C)Oc1nc2cc(C(F)(F)F)ccc2nc1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
BACE1 P56817 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE2A O00408 1/20 0.35
EPHX2 P34913 1/20 0.34
SCN4A P35499 1/20 0.34
CDK1 P06493 1/20 0.34
S1PR1 P21453 6/20 0.33
DHFR P00374 2/20 0.33
CYP2C19 P33261 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
SCHEMBL789144 1.00 KDM4E (0.45) KDM4EBACE1SCN10AMEN1KMT2A
SCHEMBL805000 0.87 KDM4E (0.46) KDM4EBACE1SCN10APDE2ADHFR
SCHEMBL805106 0.84 KDM4E (0.46) KDM4EBACE1SCN10APDE2AEPHX2
SCHEMBL804996 0.84 KDM4E (0.46) KDM4EBACE1SCN10APDE2AEPHX2
SCHEMBL789356 0.81 KDM4E (0.41) KDM4EBACE1MEN1KMT2ACYP2C19
SCHEMBL20248262 0.81 MEN1 (0.37) KDM4EMEN1KMT2A
SCHEMBL18684819 0.81 MEN1 (0.37) KDM4EMEN1KMT2A
SCHEMBL789176 0.81 KDM4E (0.41) KDM4EBACE1MEN1KMT2ACYP2C19
SCHEMBL20248263 0.81 DHFR (0.44) KDM4EDHFR
SCHEMBL789183 0.81 SCN10A (0.39) KDM4ESCN10AMEN1KMT2APDE2A

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-20200270303-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2020-08-27 US disclosed
US-20190263860-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2019-08-29 US disclosed
US-20180162905-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2018-06-14 US disclosed
US-20180162905-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2018-06-14 US disclosed
US-20170088583-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2017-03-30 US disclosed
US-9220748-B2 Macrocyclic proline derived HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-12-29 US disclosed
US-20140194350-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
US-20120070416-A1 Macrocyclic Proline Derived HCV Serine Protease Inhibitors ENANTA PHARMACEUTICALS, INC. 2012-03-22 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 (6 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-20170088583-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS PREP, PRSS1, PEPD KDM4E 1290/4885BACE1 553/4885SCN10A 3186/4885
US-20190263860-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS PREP, PRSS1, PEPD KDM4E 1290/4885BACE1 553/4885SCN10A 3186/4885
US-20120070416-A1 Macrocyclic Proline Derived HCV Serine Protease Inhibitors PREP, PRSS1, PEPD KDM4E 1290/4885BACE1 553/4885SCN10A 3186/4885
US-20200270303-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS PREP, PRSS1, PEPD KDM4E 1290/4885BACE1 553/4885SCN10A 3186/4885
US-20140194350-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS PREP, PRSS1, PEPD KDM4E 1290/4885BACE1 553/4885SCN10A 3186/4885
US-20180162905-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS PREP, PRSS1, PEPD KDM4E 1290/4885BACE1 553/4885SCN10A 3186/4885

“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.