SCHEMBL13233191

SCHEMBL13233191

CC(C)c1cc2ccncc2nc1C(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.36
MAP4K4 O95819 1/20 0.36
MINK1 Q8N4C8 1/20 0.36
TNIK Q9UKE5 1/20 0.36
PRKCZ Q05513 1/20 0.35
LATS1 O95835 10/20 0.35
LATS2 Q9NRM7 9/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
ALOX5 P09917 1/20 0.33
PIP4K2A P48426 1/20 0.32
USP2 O75604 1/20 0.32
HTT P42858 1/20 0.32
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
MELK Q14680 1/20 0.32
CYP2A6 P11509 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
SCHEMBL13233189 0.86 RPS6KA3 (0.36) RPS6KA3PRKCZLATS1LATS2HTR2A
SCHEMBL24249190 0.84 RPS6KA3 (0.42) RPS6KA3MAP4K4MINK1TNIKLATS1
SCHEMBL13263764 0.82 MAP4K4 (0.36) MAP4K4MINK1TNIKPRKCZLATS1
SCHEMBL22793012 0.82 RPS6KA3 (0.36) RPS6KA3MAP4K4MINK1TNIKPRKCZ
SCHEMBL24253585 0.81 DAO (0.39) RPS6KA3MAP4K4MINK1TNIKPRKCZ
SCHEMBL22792741 0.78 RPS6KA3 (0.34) RPS6KA3MAP4K4MINK1TNIKLATS1
SCHEMBL12410896 0.76 ALDH1A1 (0.48) HTR2AHTR2CHTR2BHTT
SCHEMBL19545353 0.76 GLP1R (0.32)
SCHEMBL12778210 0.75 PRKCZ (0.44) RPS6KA3PRKCZALOX5MELK
SCHEMBL15423527 0.75 LATS1 (0.36) PRKCZLATS1LATS2USP2HTT

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-9944633-B2 Compounds and methods for the treatment of isocitrate dehydrogenase related diseases THE BROAD INSTITUTE, INC. (US) 2018-04-17 US disclosed
US-9944633-B2 Compounds and methods for the treatment of isocitrate dehydrogenase related diseases THE BROAD INSTITUTE, INC. (US) 2018-04-17 US disclosed
US-20160102087-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF ISOCITRATE DEHYDROGENASE RELATED DISEASES PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2016-04-14 US disclosed
US-9120810-B2 Compounds and methods for the treatment of isocitrate dehydrogenase related diseases THE BOARD INSTITUTE, INC. (US) 2015-09-01 US disclosed
US-7750151-B2 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2010-07-06 US disclosed
US-20080280899-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2008-11-13 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 (2 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-20160102087-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF ISOCITRATE DEHYDROGENASE RELATED DISEASES IDH1, IDH2, IDH3A RPS6KA3 3486/4885MAP4K4 2544/4885MINK1 2019/4885
US-20080280899-A1 Inhibitors of Akt Activity AKT1, AKT2, AKT3 RPS6KA3 389/4885MAP4K4 189/4885MINK1 1156/4885

“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.