SCHEMBL789176

SCHEMBL789176

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.37
CYP1A2 P05177 2/20 0.35
MAPK1 P28482 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CASP1 P29466 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPK10 P53779 1/20 0.35
CASP7 P55210 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NAMPT P43490 7/20 0.35
BACE1 P56817 1/20 0.34
CYP2A6 P11509 1/20 0.32
MAPK14 Q16539 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
SCHEMBL789356 1.00 KDM4E (0.41) KDM4EKMT2AMEN1CYP1A2MAPK1
SCHEMBL18684816 0.86 KDM4E (0.42) KDM4EKMT2AMEN1CYP1A2MAPK1
SCHEMBL789372 0.83 KDM4E (0.46) KDM4EKMT2AMEN1CYP1A2RAB9A
SCHEMBL805013 0.83 KDM4E (0.42) KDM4EKMT2ACYP1A2MAPK1NPC1
SCHEMBL789376 0.83 KDM4E (0.46) KDM4EKMT2AMEN1CYP1A2RAB9A
SCHEMBL22369961 0.82 KDM4E (0.39) KDM4EKMT2AMEN1CYP1A2MAPK1
SCHEMBL18684819 0.81 MEN1 (0.37) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL21303166 0.81 MEN1 (0.37) KDM4EKMT2AMEN1CYP1A2NPC1
SCHEMBL21303167 0.81 MEN1 (0.37) KDM4EKMT2AMEN1CYP1A2NPC1
SCHEMBL20248262 0.81 MEN1 (0.37) KDM4EKMT2AMEN1NPC1RAB9A

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 1290/4885KMT2A 3360/4885MEN1 4449/4885
US-20190263860-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS PREP, PRSS1, PEPD KDM4E 1290/4885KMT2A 3360/4885MEN1 4449/4885
US-20120070416-A1 Macrocyclic Proline Derived HCV Serine Protease Inhibitors PREP, PRSS1, PEPD KDM4E 1290/4885KMT2A 3360/4885MEN1 4449/4885
US-20200270303-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS PREP, PRSS1, PEPD KDM4E 1290/4885KMT2A 3360/4885MEN1 4449/4885
US-20140194350-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS PREP, PRSS1, PEPD KDM4E 1290/4885KMT2A 3360/4885MEN1 4449/4885
US-20180162905-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS PREP, PRSS1, PEPD KDM4E 1290/4885KMT2A 3360/4885MEN1 4449/4885

“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.