SCHEMBL804778

SCHEMBL804778

COc1nc2cc(F)ccc2nc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
KMT2A Q03164 4/20 0.44
TSHR P16473 2/20 0.40
MAPT P10636 2/20 0.40
MAPK14 Q16539 1/20 0.40
CASP3 P42574 2/20 0.40
POLB P06746 2/20 0.39
PDE2A O00408 3/20 0.39
PDE10A Q9Y233 3/20 0.39
PDE7A Q13946 1/20 0.39
MEN1 O00255 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NQO2 P16083 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PDE6D O43924 1/20 0.36

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
SCHEMBL15870617 1.00 KDM4E (0.46) KDM4EKMT2ATSHRMAPTMAPK14
SCHEMBL1712420 0.89 KDM4E (0.52) KDM4EKMT2AMAPTMAPK14POLB
SCHEMBL12638658 0.82 KDM4E (0.57) KDM4EKMT2ATSHRMAPTCASP3
SCHEMBL805013 0.81 KDM4E (0.42) KDM4EKMT2ATSHRMAPTCASP3
SCHEMBL4931938 0.81 KDM4E (0.44) KDM4EKMT2AMAPTMAPK14POLB
SCHEMBL1138486 0.81 KDM4E (0.44) KDM4EKMT2AMAPTMAPK14POLB
SCHEMBL444482 0.81 KDM4E (0.44) KDM4EKMT2AMAPTMAPK14POLB
SCHEMBL804719 0.80 KDM4E (0.61) KDM4EKMT2AMAPTMAPK14POLB
SCHEMBL15870612 0.80 KDM4E (0.61) KDM4EKMT2AMAPTMAPK14POLB
SCHEMBL23110691 0.79 KMT2A (0.56) KDM4EKMT2ATSHRMAPTCASP3

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-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 (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-20170088583-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS PREP, PRSS1, PEPD KDM4E 1290/4885KMT2A 3360/4885TSHR 4670/4885
US-20120070416-A1 Macrocyclic Proline Derived HCV Serine Protease Inhibitors PREP, PRSS1, PEPD KDM4E 1290/4885KMT2A 3360/4885TSHR 4670/4885
US-20140194350-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS PREP, PRSS1, PEPD KDM4E 1290/4885KMT2A 3360/4885TSHR 4670/4885

“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.