SCHEMBL10248397

SCHEMBL10248397

CC(C)(C)c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HPGD P15428 1/20 0.44
HRH4 Q9H3N8 3/20 0.43
SCN10A Q9Y5Y9 2/20 0.41
KCNH2 Q12809 1/20 0.41
F7 P08709 2/20 0.40
F3 P13726 2/20 0.40
LTA4H P09960 1/20 0.40
AHR P35869 1/20 0.40
NR4A2 P43354 1/20 0.40
SSTR4 P31391 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
BACE1 P56817 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
NOS1 P29475 1/20 0.38

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
SCHEMBL5110913 0.86 SCN10A (0.54) SMN1; SMN2ALDH1A1HPGDHRH4SCN10A
SCHEMBL10248233 0.86 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1L3MBTL1HPGDSCN10A
SCHEMBL1358509 0.84 HRH4 (0.41) SMN1; SMN2ALDH1A1HPGDHRH4F7
SCHEMBL9866407 0.82 NPSR1 (0.58) SMN1; SMN2ALDH1A1L3MBTL1HPGDHRH4
SCHEMBL23619188 0.81 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1L3MBTL1HPGDSCN10A
SCHEMBL846855 0.80 SCN10A (0.58) SMN1; SMN2ALDH1A1L3MBTL1HPGDSCN10A
SCHEMBL10005347 0.80 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1L3MBTL1HPGDSCN10A
SCHEMBL18862125 0.79 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1HPGDHRH4F7
SCHEMBL14491782 0.79 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1L3MBTL1HPGDSCN10A
SCHEMBL2732982 0.79 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1L3MBTL1HPGDSCN10A

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 38 patents — showing the first 20. 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-20200308165-A1 Compounds as Ras Inhibitors and Use Thereof D. E. SHAW RESEARCH, LLC 2020-10-01 US disclosed
US-20200113923-A1 DOT1L INHIBITORS FOR USE IN THE TREATMENT OF LEUKEMIA Epizyme, Inc. 2020-04-16 US disclosed
US-20190343826-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. 2019-11-14 US disclosed
US-20190100552-A1 INHIBITORS OF PROTEIN METHYLTRANSFERASE DOT1L AND METHODS OF USE THEREOF Epizyme, Inc. 2019-04-04 US disclosed
US-20180162847-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF Epizyme, Inc. (US) 2018-06-14 US disclosed
US-20180162847-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF Epizyme, Inc. (US) 2018-06-14 US disclosed
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-11-23 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-20170313989-A1 INHIBITION AND ENHANCEMENT OF REPROGRAMMING BY CHROMATIN MODIFYING ENZYMES CHILDREN'S MEDICAL CENTER CORPORATION (US) 2017-11-02 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-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
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds Epizyme, Inc. (US) 2012-06-07 US disclosed
US-7217720-B2 17-heterocyclic-4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2007-05-15 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 (11 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 SMN1; SMN2 1240/4885ALDH1A1 2404/4885L3MBTL1 151/4885
US-20190343826-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 SMN1; SMN2 1715/4885ALDH1A1 1890/4885L3MBTL1 1306/4885
US-20190100552-A1 INHIBITORS OF PROTEIN METHYLTRANSFERASE DOT1L AND METHODS OF USE THEREOF DOT1L, PRMT1, CARM1 SMN1; SMN2 1240/4885ALDH1A1 2404/4885L3MBTL1 151/4885
US-20140323421-A1 Combination Therapy for Treating Cancer DOT1L, ASH1L, CARM1 SMN1; SMN2 3312/4885ALDH1A1 1001/4885L3MBTL1 474/4885
US-20200308165-A1 Compounds as Ras Inhibitors and Use Thereof KRAS, NRAS, HRAS SMN1; SMN2 4018/4885ALDH1A1 2215/4885L3MBTL1 4627/4885
US-20200113923-A1 DOT1L INHIBITORS FOR USE IN THE TREATMENT OF LEUKEMIA DOT1L, CARM1, MCL1 SMN1; SMN2 1819/4885ALDH1A1 1884/4885L3MBTL1 412/4885
US-20210252035-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 SMN1; SMN2 434/4885ALDH1A1 592/4885L3MBTL1 699/4885
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 SMN1; SMN2 1715/4885ALDH1A1 1890/4885L3MBTL1 1306/4885
US-20140051654-A1 Substituted Purine and 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 SMN1; SMN2 434/4885ALDH1A1 592/4885L3MBTL1 699/4885
US-20180162847-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF PRMT5, PRMT1, PRMT3 SMN1; SMN2 1466/4885ALDH1A1 2705/4885L3MBTL1 1042/4885
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 SMN1; SMN2 434/4885ALDH1A1 592/4885L3MBTL1 699/4885

“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.