SCHEMBL10248286

SCHEMBL10248286

Cc1cc2nc(C(C)(C)C)[nH]c2cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.47
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
SCN10A Q9Y5Y9 2/20 0.41

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
SCHEMBL10248202 0.93 AR (0.47) ARALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL10248206 0.87 AR (0.58) ARALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL10248126 0.85 FABP6 (0.55) ALDH1A1SMN1; SMN2L3MBTL1MAPTKDM4E
SCHEMBL10248384 0.81 AR (0.49) ARALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL4352219 0.79 AR (0.47) ARMAPTKDM4EPOLBHPGD
SCHEMBL846648 0.79 KDM4E (0.56) ARALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL18659704 0.79 AR (0.50) ARALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL1440395 0.78 GRIN2D (0.47) ARALDH1A1MAPTKDM4EPDE3B
SCHEMBL12020717 0.78 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAPTKDM4EPOLB
SCHEMBL2733189 0.78 AR (0.49) ARALDH1A1SMN1; SMN2L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170313989-A1 INHIBITION AND ENHANCEMENT OF REPROGRAMMING BY CHROMATIN MODIFYING ENZYMES CHILDREN'S MEDICAL CENTER CORPORATION (US) 2017-11-02 US disclosed
US-9670463-B2 Inhibition and enhancement of reprogramming by chromatin modifying enzymes CHILDREN'S MEDICAL CENTER CORPORATION (US) 2017-06-06 US disclosed
US-20170137455-A1 INHIBITORS OF PROTEIN METHYLTRANSFERASE DOT1L AND METHODS OF USE THEREOF Epizyme, Inc. 2017-05-18 US disclosed
US-20170080010-A1 COMBINATION THERAPY FOR TREATING CANCER Epizyme, Inc. 2017-03-23 US disclosed
US-9446064-B2 Combination therapy for treating cancer Epizyme, Inc. (US) 2016-09-20 US disclosed
US-9394310-B2 Carbocycle-substituted purine and 7-deazapurine compounds Epizyme, Inc. (US) 2016-07-19 US disclosed
US-20160045531-A1 COMBINATION THERAPY FOR TREATING CANCER Epizyme, Inc. 2016-02-18 US disclosed
US-20150366893-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. (US) 2015-12-24 US disclosed
US-20150342979-A1 DOT1L INHIBITORS FOR USE IN THE TREATMENT OF LEUKEMIA Epizyme, Inc. 2015-12-03 US disclosed
US-20150284422-A1 INHIBITORS OF PROTEIN METHYLTRANSFERASE DOT1L AND METHODS OF USE THEREOF Epizyme, Inc. 2015-10-08 US disclosed
US-9096634-B2 Substituted purine and 7-deazapurine compounds Epizyme, Inc. (US) 2015-08-04 US disclosed
US-20140323421-A1 Combination Therapy for Treating Cancer Epizyme, Inc. (US) 2014-10-30 US disclosed
US-20140242046-A1 INHIBITION AND ENHANCEMENT OF REPROGRAMMING BY CHROMATIN MODIFYING ENZYMES Childern's Medical Center Corporation (US) 2014-08-28 US disclosed
US-20140051654-A1 Substituted Purine and 7-Deazapurine Compounds Epizyme, Inc. (US) 2014-02-20 US disclosed
US-8580762-B2 Substituted purine and 7-deazapurine compounds Epizyme, Inc. (US) 2013-11-12 US disclosed
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds Epizyme, Inc. (US) 2012-06-07 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 (9 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-20150284422-A1 INHIBITORS OF PROTEIN METHYLTRANSFERASE DOT1L AND METHODS OF USE THEREOF DOT1L, PRMT1, CARM1 AR 3734/4885ALDH1A1 2404/4885SMN1; SMN2 1240/4885
US-20140323421-A1 Combination Therapy for Treating Cancer DOT1L, ASH1L, CARM1 AR 3170/4885ALDH1A1 1001/4885SMN1; SMN2 3312/4885
US-20160045531-A1 COMBINATION THERAPY FOR TREATING CANCER DOT1L, ASH1L, CARM1 AR 3170/4885ALDH1A1 1001/4885SMN1; SMN2 3312/4885
US-20150342979-A1 DOT1L INHIBITORS FOR USE IN THE TREATMENT OF LEUKEMIA DOT1L, CARM1, MCL1 AR 3783/4885ALDH1A1 1884/4885SMN1; SMN2 1819/4885
US-20170137455-A1 INHIBITORS OF PROTEIN METHYLTRANSFERASE DOT1L AND METHODS OF USE THEREOF DOT1L, PRMT1, CARM1 AR 3734/4885ALDH1A1 2404/4885SMN1; SMN2 1240/4885
US-20170080010-A1 COMBINATION THERAPY FOR TREATING CANCER DOT1L, ASH1L, CARM1 AR 3170/4885ALDH1A1 1001/4885SMN1; SMN2 3312/4885
US-20150366893-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 AR 4248/4885ALDH1A1 592/4885SMN1; SMN2 434/4885
US-20140051654-A1 Substituted Purine and 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 AR 4248/4885ALDH1A1 592/4885SMN1; SMN2 434/4885
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 AR 4248/4885ALDH1A1 592/4885SMN1; SMN2 434/4885

“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.