SCHEMBL12522158

SCHEMBL12522158

CN(C)CCNc1cc(C(C)(C)C)ccn1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.55
HRH3 Q9Y5N1 1/20 0.51
MAP4K4 O95819 1/20 0.47
DNM2 P50570 4/20 0.46
HRH4 Q9H3N8 1/20 0.44
KDM4E B2RXH2 1/20 0.41
ATAD2 Q6PL18 1/20 0.39
ATR Q13535 1/20 0.39
CCR9 P51686 1/20 0.38
IDH2 P48735 1/20 0.37
WNT1 P04628 1/20 0.36
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL11193856 0.86 CYP2C19 (0.54) CYP2C19HRH3MAP4K4DNM2HRH4
SCHEMBL11447358 0.84 HSP90AA1 (0.40) CYP2C19HRH3MAP4K4HRH4KDM4E
SCHEMBL16217395 0.83 KDM4D (0.40) CYP2C19HRH3MAP4K4DNM2HRH4
SCHEMBL18466078 0.83 CYP2C19 (0.38) CYP2C19HRH3MAP4K4HRH4KDM4E
SCHEMBL16217431 0.81 KARS1 (0.43) HRH3HRH4KDM4E
SCHEMBL18590247 0.81 KDM4D (0.44) MAP4K4KDM4ECCR9CLK2GSK3B
SCHEMBL18466076 0.81 HRH3 (0.40) HRH3HRH4KDM4E
SCHEMBL12698 0.79 CYP2C19 (0.60) CYP2C19HRH3MAP4K4DNM2HRH4
SCHEMBL17403528 0.78 LRRK2 (0.48) CYP2C19KDM4EGSK3BCYP1A2
SCHEMBL13658739 0.78 HRH3 (0.62) CYP2C19HRH3MAP4K4DNM2HRH4

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 27 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-20190343826-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. 2019-11-14 US disclosed
US-20180162847-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF Epizyme, Inc. (US) 2018-06-14 US disclosed
US-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-9855269-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2018-01-02 US disclosed
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-11-23 US disclosed
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-11-23 US disclosed
US-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-07-27 US disclosed
US-20160296525-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2016-10-13 US disclosed
US-9382241-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2016-07-05 US disclosed
US-9365519-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2016-06-14 US disclosed
US-20150361042-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-12-17 US disclosed
US-20150344434-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-12-03 US disclosed
US-20150252031-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-09-10 US disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 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-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 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 (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 CYP2C19 3456/4885HRH3 1460/4885MAP4K4 1835/4885
US-20150252031-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 CYP2C19 3456/4885HRH3 1460/4885MAP4K4 1835/4885
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES PI4KB, MTOR, PI4KA CYP2C19 1822/4885HRH3 571/4885MAP4K4 200/4885
US-20190343826-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 CYP2C19 2802/4885HRH3 629/4885MAP4K4 1676/4885
US-20180098987-A1 PRMT5 Inhibitors and Uses Thereof PRMT5, PRMT1, PRMT6 CYP2C19 3456/4885HRH3 1460/4885MAP4K4 1835/4885
US-20160296525-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES DPYD, FANCD2, RECQL CYP2C19 31/4885HRH3 400/4885MAP4K4 700/4885
US-20140329794-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 CYP2C19 3456/4885HRH3 1460/4885MAP4K4 1835/4885
US-20150361042-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 CYP2C19 3509/4885HRH3 1549/4885MAP4K4 1575/4885
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 CYP2C19 2802/4885HRH3 629/4885MAP4K4 1676/4885
US-10980794-B2 PRMT5 inhibitors and uses thereof PRMT5, PRMT1, PRMT6 CYP2C19 3456/4885HRH3 1460/4885MAP4K4 1835/4885
US-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 CYP2C19 2067/4885HRH3 1208/4885MAP4K4 1621/4885
US-20180162847-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF PRMT5, PRMT1, PRMT3 CYP2C19 3407/4885HRH3 1072/4885MAP4K4 1260/4885
US-20150344434-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 CYP2C19 3097/4885HRH3 683/4885MAP4K4 1697/4885

“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.