SCHEMBL9913508

SCHEMBL9913508

CC(C)(C)c1ccc2[nH]c(CCC3CCC3)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.43
SCN10A Q9Y5Y9 3/20 0.41
DOT1L Q8TEK3 8/20 0.39
LMNA P02545 1/20 0.37
AAK1 Q2M2I8 1/20 0.36
KCNH2 Q12809 1/20 0.36
POLB P06746 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
IDO1 P14902 1/20 0.35

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
SCHEMBL19033910 0.87 PDE10A (0.41) PDE10ASCN10ADOT1LKCNH2POLB
SCHEMBL10284730 0.86 DOT1L (0.42) PDE10ASCN10ADOT1LKCNH2POLB
SCHEMBL16383235 0.86 DOT1L (0.41) PDE10ASCN10ADOT1LKCNH2
SCHEMBL15605852 0.86 PDE10A (0.41) PDE10ASCN10ADOT1LKCNH2POLB
SCHEMBL16377171 0.86 PDE10A (0.41) PDE10ASCN10ADOT1LKCNH2POLB
Hydrochloric Acid SCHEMBL16343657 0.85 PDE10A (0.40) PDE10ASCN10ADOT1LKCNH2POLB
SCHEMBL18659815 0.84 DOT1L (0.40) PDE10ASCN10ADOT1LAAK1
SCHEMBL21422820 0.84 DOT1L (0.46) PDE10ASCN10ADOT1LLMNA
SCHEMBL18325745 0.84 DOT1L (0.46) PDE10ASCN10ADOT1LLMNA
SCHEMBL23185471 0.83 PDE10A (0.39) PDE10ASCN10ADOT1LKCNH2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210252035-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. 2021-08-19 US disclosed
US-20200113923-A1 DOT1L INHIBITORS FOR USE IN THE TREATMENT OF LEUKEMIA Epizyme, Inc. 2020-04-16 US disclosed
US-20180127451-A1 SUBSTITUTED PURINE COMPOUNDS Epizyme, Inc. 2018-05-10 US disclosed
US-20170313989-A1 INHIBITION AND ENHANCEMENT OF REPROGRAMMING BY CHROMATIN MODIFYING ENZYMES CHILDREN'S MEDICAL CENTER CORPORATION (US) 2017-11-02 US disclosed
US-9688714-B2 Substituted purine compounds Epizyme, Inc. (US) 2017-06-27 US disclosed
US-20170080010-A1 COMBINATION THERAPY FOR TREATING CANCER Epizyme, Inc. 2017-03-23 US disclosed
US-20160368943-A1 SUBSTITUTED PURINE COMPOUNDS Epizyme, Inc. 2016-12-22 US disclosed
EP-2646444-B1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS AS MODULATORS OF EPIGENETIC ENZYMES EPIZYME INC (US) 2016-03-16 EP disclosed
WO-2012075381-A1 SUBSTITUTED PURINE AND 7 - DEAZAPURINE COMPOUNDS AS MODULATORS OF EPIGENETIC ENZYMES Epizyme, Inc. (US) 2012-06-07 WO 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-20200113923-A1 DOT1L INHIBITORS FOR USE IN THE TREATMENT OF LEUKEMIA DOT1L, CARM1, MCL1 PDE10A 4017/4885SCN10A 3860/4885DOT1L 1/4885
US-20170080010-A1 COMBINATION THERAPY FOR TREATING CANCER DOT1L, ASH1L, CARM1 PDE10A 4261/4885SCN10A 4579/4885DOT1L 1/4885
US-20210252035-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 PDE10A 1424/4885SCN10A 3854/4885DOT1L 6/4885
US-20160368943-A1 SUBSTITUTED PURINE COMPOUNDS DIMT1, DOT1L, TPMT PDE10A 1379/4885SCN10A 4222/4885DOT1L 2/4885
US-20180127451-A1 SUBSTITUTED PURINE COMPOUNDS DIMT1, DOT1L, TPMT PDE10A 1379/4885SCN10A 4222/4885DOT1L 2/4885

“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.