SCHEMBL270610

SCHEMBL270610

CC(C)(C)c1cccc(CN2CCNCC2)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.57
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
LMNA P02545 1/20 0.47
CXCR4 P61073 6/20 0.47
CHRM3 P20309 5/20 0.46
TACR1 P25103 1/20 0.45
MEN1 O00255 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
ADRA2C P18825 1/20 0.45
CCR2 P41597 1/20 0.45
CXCL12 P48061 1/20 0.45
BLM P54132 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
BRD4 O60885 1/20 0.44

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
SCHEMBL12449567 0.85 ALDH1A1 (0.69) SIGMAR1KDM4EALDH1A1GAALMNA
SCHEMBL1761029 0.84 ALDH1A1 (0.72) SIGMAR1KDM4EALDH1A1GAALMNA
SCHEMBL271331 0.84 ALDH1A1 (0.71) SIGMAR1KDM4EALDH1A1GAALMNA
SCHEMBL5856521 0.83 CYP3A4 (0.51) SIGMAR1KDM4EALDH1A1CXCR4TACR1
SCHEMBL16562343 0.83 KMT2A (0.44) SIGMAR1KDM4EALDH1A1GAALMNA
Hydrochloric Acid SCHEMBL6734690 0.83 ALDH1A1 (0.70) SIGMAR1KDM4EALDH1A1GAALMNA
SCHEMBL12724822 0.83 ALDH1A1 (0.56) SIGMAR1KDM4EALDH1A1GAALMNA
SCHEMBL12666613 0.83 MC4R (0.59) SIGMAR1KDM4EALDH1A1GAALMNA
Hydrochloric Acid SCHEMBL5855966 0.82 CYP3A4 (0.50) SIGMAR1KDM4EALDH1A1LMNACXCR4
SCHEMBL20676126 0.82 CYP3A4 (0.50) SIGMAR1KDM4EALDH1A1CXCR4TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210308121-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2021-10-07 US disclosed
US-10980794-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2021-04-20 US disclosed
US-20200247781-A1 COMPOUND HAVING ERK KINASE INHIBITORY ACTIVITY AND USE THEREOF HAIHE BIOPHARMA CO., LTD. (CN) 2020-08-06 US disclosed
US-10391089-B2 PRMT5 inhibitors and uses therof Epizyme, Inc. (US) 2019-08-27 US disclosed
US-10307413-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2019-06-04 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-20180098987-A1 PRMT5 Inhibitors and Uses Thereof Epizyme, Inc. (US) 2018-04-12 US disclosed
US-20180098987-A1 PRMT5 Inhibitors and Uses Thereof Epizyme, Inc. (US) 2018-04-12 US disclosed
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-11-23 US disclosed
US-8993555-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2015-03-31 US disclosed
US-20140329794-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-11-06 US disclosed
US-8133900-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-13 US disclosed
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-09-01 US disclosed
US-7825246-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2010-11-02 US disclosed
US-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases TARGEGEN, INC. (US) 2009-11-19 US disclosed
US-7528143-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2009-05-05 US disclosed
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-11-08 US disclosed
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-08-16 US disclosed
CN-1313464-C Substituted alkylamine derivatives and methods of use AMGEN INC (US) 2007-05-02 CN 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 (13 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-20210308121-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 SIGMAR1 4271/4885KDM4E 36/4885ALDH1A1 2460/4885
US-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, LTK SIGMAR1 780/4885KDM4E 1356/4885ALDH1A1 3662/4885
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 SIGMAR1 1178/4885KDM4E 1689/4885ALDH1A1 3235/4885
US-20180098987-A1 PRMT5 Inhibitors and Uses Thereof PRMT5, PRMT1, PRMT6 SIGMAR1 4271/4885KDM4E 36/4885ALDH1A1 2460/4885
US-10391089-B2 PRMT5 inhibitors and uses therof PRMT5, PRMT1, PRMT6 SIGMAR1 4685/4885KDM4E 98/4885ALDH1A1 3384/4885
US-20200247781-A1 COMPOUND HAVING ERK KINASE INHIBITORY ACTIVITY AND USE THEREOF MAPK1, MAPK4, MAPK7 SIGMAR1 2967/4885KDM4E 1526/4885ALDH1A1 1025/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 SIGMAR1 1178/4885KDM4E 1689/4885ALDH1A1 3235/4885
US-10307413-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof PRMT5, PRMT1, PRMT3 SIGMAR1 4073/4885KDM4E 36/4885ALDH1A1 1890/4885
US-20140329794-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 SIGMAR1 4271/4885KDM4E 36/4885ALDH1A1 2460/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 SIGMAR1 1178/4885KDM4E 1689/4885ALDH1A1 3235/4885
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 SIGMAR1 4073/4885KDM4E 36/4885ALDH1A1 1890/4885
US-10980794-B2 PRMT5 inhibitors and uses thereof PRMT5, PRMT1, PRMT6 SIGMAR1 4271/4885KDM4E 36/4885ALDH1A1 2460/4885
US-20180162847-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF PRMT5, PRMT1, PRMT3 SIGMAR1 4354/4885KDM4E 33/4885ALDH1A1 2705/4885

“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.