SCHEMBL890126

SCHEMBL890126

CC(=O)[C@@H](Nc1cncnc1)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.36
HCAR2 Q8TDS4 1/20 0.33
LRRK2 Q5S007 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CTSL P07711 2/20 0.31
CTSB P07858 2/20 0.31
CTSK P43235 2/20 0.31
VNN1 O95497 2/20 0.31
DYRK1A Q13627 1/20 0.31
NPR3 P17342 1/20 0.30
FPR2 P25090 1/20 0.30
ALDH1A1 P00352 2/20 0.30
PIK3CG P48736 1/20 0.30
FFAR2 O15552 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL8907560 0.85 BCAT2 (0.36) BCAT2HCAR2LRRK2VNN1DYRK1A
SCHEMBL2160122 0.85 ALDH1A1 (0.41) BCAT2HCAR2FPR2ALDH1A1KDM4E
SCHEMBL756357 0.85 ALDH1A1 (0.41) BCAT2HCAR2FPR2ALDH1A1KDM4E
SCHEMBL2160129 0.85 ALDH1A1 (0.41) BCAT2HCAR2FPR2ALDH1A1KDM4E
SCHEMBL19364698 0.81 BCAT2 (0.33) BCAT2HCAR2LRRK2TSHRMAPK1
SCHEMBL8921088 0.81 MEN1 (0.37) BCAT2HCAR2LRRK2DYRK1AALDH1A1
SCHEMBL8910369 0.81 BCAT2 (0.37) BCAT2HCAR2LRRK2TSHRNPR3
SCHEMBL890100 0.80 FDPS (0.51) ALDH1A1FFAR2KDM4E
SCHEMBL8185770 0.77 NPR3 (0.49) CTSKNPR3
SCHEMBL12977805 0.76 CCNA2 (0.31) DYRK1A

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 US disclosed
US-9765087-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-09-19 US disclosed
US-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 US disclosed
US-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARM INC (US) 2017-04-27 US disclosed
US-9156818-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-10-13 US disclosed
US-9127021-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-09-08 US disclosed
US-9000020-B2 Linked dibenzimidazole antivirals ENANTA PHARMACEUTICALS, INC. (US) 2015-04-07 US disclosed
US-8933110-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-01-13 US disclosed
US-8927709-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-01-06 US disclosed
US-20140341851-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-11-20 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-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-10-21 US disclosed
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-10-14 US disclosed
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-16 US disclosed
US-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-09-09 US disclosed
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-09 US disclosed
US-20100221216-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-09-02 US disclosed
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 US disclosed
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 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 (13 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-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 BCAT2 656/4885HCAR2 3413/4885LRRK2 3755/4885
US-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, MAVS BCAT2 1637/4885HCAR2 2393/4885LRRK2 3351/4885
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 BCAT2 1972/4885HCAR2 1941/4885LRRK2 3663/4885
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 BCAT2 656/4885HCAR2 3413/4885LRRK2 3755/4885
US-20100316607-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 BCAT2 1972/4885HCAR2 1941/4885LRRK2 3663/4885
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 BCAT2 1025/4885HCAR2 3751/4885LRRK2 3013/4885
US-10017499-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L BCAT2 505/4885HCAR2 3104/4885LRRK2 4216/4885
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 BCAT2 1946/4885HCAR2 2497/4885LRRK2 3345/4885
US-20110008288-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 BCAT2 1972/4885HCAR2 1941/4885LRRK2 3663/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 BCAT2 1025/4885HCAR2 3751/4885LRRK2 3013/4885
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, NSUN2 BCAT2 659/4885HCAR2 3535/4885LRRK2 3066/4885
US-20100221216-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 BCAT2 1972/4885HCAR2 1941/4885LRRK2 3663/4885
US-20140341851-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 BCAT2 656/4885HCAR2 3413/4885LRRK2 3755/4885

“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.