SCHEMBL8908839

SCHEMBL8908839

Cn1cncc1C(=O)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PREP P48147 1/20 0.34
CYP3A4 P08684 4/20 0.33
IDO1 P14902 2/20 0.33
CYP17A1 P05093 1/20 0.33
MAPK1 P28482 1/20 0.33
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
GABRA1 P14867 3/20 0.31
CYP11B1 P15538 3/20 0.31
CYP11B2 P19099 3/20 0.31
CYP1A2 P05177 2/20 0.31
GABRB2 P47870 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
LMNA P02545 1/20 0.31
ABCB11 O95342 1/20 0.31
GABRA2 P47869 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
SCHEMBL14254408 0.82 RBP4 (0.42) RBP4ALDH1A1TDP1PREPCYP3A4
SCHEMBL6010185 0.79 IDO1 (0.41) RBP4ALDH1A1TDP1PREPCYP3A4
SCHEMBL12234460 0.77
SCHEMBL890196 0.77
SCHEMBL301936 0.77
SCHEMBL19356929 0.76 GPR119 (0.38) RBP4ALDH1A1PREPCYP3A4MAPK1
SCHEMBL3755057 0.75
SCHEMBL2638060 0.75
SCHEMBL27945446 0.75 ALDH1A1 (0.46) RBP4ALDH1A1TDP1PREPCYP3A4
SCHEMBL19265677 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227437-A1 IMMUNOMODULATOR HITGEN INC (CN) 2023-07-20 US disclosed
US-20230227437-A1 IMMUNOMODULATOR HITGEN INC (CN) 2023-07-20 US disclosed
US-20230159465-A1 IMMUNOMODULATOR HITGEN INC. (CN) 2023-05-25 US disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
CN-107188891-A A kind of synthetic method of 5 (tert-butyl carbonyl) 1 methylimidazoles and the carboxylic acid of pyridine 7 天津药明康德新药开发有限公司 2017-09-22 CN disclosed
US-9682998-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2017-06-20 US disclosed
US-20160362421-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2016-12-15 US disclosed
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MAYERS SQUIBB COMPANY (US) 2016-07-14 US disclosed
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 US disclosed
US-8637561-B2 Linked diimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-01-28 US disclosed
US-20130183269-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 US disclosed
US-8188132-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
US-20110300104-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-12-08 US disclosed
US-20110250172-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-10-13 US disclosed
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-06-16 US disclosed
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-09 US disclosed
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 US disclosed
US-7446110-B2 17-Heterocyclic-4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2008-11-04 US disclosed
US-20070054933-A1 17-Heterocyclic-4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC (US) 2007-03-08 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 (12 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-20110300104-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 RBP4 2000/4885ALDH1A1 365/4885TDP1 3277/4885
US-20110250172-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 RBP4 2000/4885ALDH1A1 365/4885TDP1 3277/4885
US-20230159465-A1 IMMUNOMODULATOR IL2, IL17A, IL2RA RBP4 1052/4885ALDH1A1 302/4885TDP1 4681/4885
US-20230227437-A1 IMMUNOMODULATOR IL17A, IL2, IL2RA RBP4 1174/4885ALDH1A1 261/4885TDP1 4711/4885
US-20130183269-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 RBP4 3594/4885ALDH1A1 3966/4885TDP1 3315/4885
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 RBP4 2000/4885ALDH1A1 365/4885TDP1 3277/4885
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 RBP4 1859/4885ALDH1A1 229/4885TDP1 2283/4885
US-20160362421-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 RBP4 4777/4885ALDH1A1 1702/4885TDP1 3177/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 RBP4 1632/4885ALDH1A1 287/4885TDP1 2549/4885
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, MAVS, EIF2AK2 RBP4 3594/4885ALDH1A1 3966/4885TDP1 3315/4885
US-20070054933-A1 17-Heterocyclic-4-azasteroid derivatives as androgen receptor modulators AR, SHBG, NR5A1 RBP4 787/4885ALDH1A1 1800/4885TDP1 536/4885
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS RBP4 3146/4885ALDH1A1 3872/4885TDP1 3152/4885

“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.