SCHEMBL11407828

SCHEMBL11407828

Cc1ncc2[nH]c(C(C)C)cc2n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.37
SLC2A1 P11166 1/20 0.37
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
FABP6 P51161 1/20 0.31
NR3C1 P04150 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
CACNA1B Q00975 1/20 0.30
APBA1 Q02410 1/20 0.30
KMT2A Q03164 1/20 0.30
MCL1 Q07820 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL888848 0.82 NR3C1 (0.39) DHFRSLC2A1KDM4ELMNAHSD17B10
SCHEMBL889114 0.78 DHFR (0.35) DHFRSLC2A1KDM4ELMNAHSD17B10
SCHEMBL10142642 0.78 DHFR (0.35) DHFRSLC2A1KDM4ELMNAHSD17B10
SCHEMBL890167 0.77 NPY5R (0.37) KDM4EFABP6MEN1MAPTCACNA1B
SCHEMBL12938114 0.77 KDM4E (0.44) DHFRSLC2A1KDM4ELMNAHSD17B10
SCHEMBL12824201 0.74 FABP6 (0.32) KDM4EFABP6MEN1MAPTCACNA1B
SCHEMBL10147352 0.73 CYP1A2 (0.37) DHFRSLC2A1KDM4ELMNAHSD17B10
SCHEMBL19249915 0.73 DHFR (0.44) DHFRSLC2A1KDM4ELMNAHSD17B10
SCHEMBL18237899 0.73 DHFR (0.35) DHFRSLC2A1NR3C1
SCHEMBL890078 0.73 PDK2 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8221737-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-07-17 US disclosed
US-20110070196-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-24 US disclosed
US-20110064695-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-20110008288-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-01-13 US disclosed
US-20100316607-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-12-16 US disclosed
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-10-14 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-20100260715-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 DHFR 1153/4885SLC2A1 1026/4885KDM4E 1193/4885
US-20100316607-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 DHFR 1153/4885SLC2A1 1026/4885KDM4E 1193/4885
US-20110008288-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 DHFR 1153/4885SLC2A1 1026/4885KDM4E 1193/4885
US-20110070196-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 DHFR 1356/4885SLC2A1 1505/4885KDM4E 1139/4885
US-20110064695-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 DHFR 1356/4885SLC2A1 1505/4885KDM4E 1139/4885

“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.