SCHEMBL12698

SCHEMBL12698

Cc1ccnc(NCCN(C)C)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.60
HRH3 Q9Y5N1 1/20 0.55
NOS2 P35228 1/20 0.53
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
POLB P06746 2/20 0.50
MAP4K4 O95819 1/20 0.50
DNM2 P50570 4/20 0.49
HRH4 Q9H3N8 1/20 0.48
ATAD2 Q6PL18 1/20 0.45
KARS1 Q15046 3/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL16491444 0.85 NOS2 (0.49) CYP2C19HRH3NOS2KMT2AMEN1
SCHEMBL19606436 0.84 NOS2 (0.48) CYP2C19HRH3NOS2KMT2AMEN1
SCHEMBL14980583 0.83 NOS2 (0.50) CYP2C19NOS2KMT2AMEN1POLB
SCHEMBL29387993 0.83 NOS2 (0.50) CYP2C19NOS2KMT2AMEN1POLB
SCHEMBL11446324 0.82 NOS2 (0.49) CYP2C19NOS2KMT2AMEN1POLB
SCHEMBL15829852 0.82 NOS2 (0.46) CYP2C19NOS2KMT2AMEN1POLB
SCHEMBL15830295 0.82 NOS2 (0.46) CYP2C19NOS2KMT2AMEN1POLB
SCHEMBL13658739 0.81 HRH3 (0.62) CYP2C19HRH3MAP4K4DNM2HRH4
SCHEMBL22290519 0.81 CYP2C19 (0.58) CYP2C19HRH3KMT2AMEN1MAP4K4
SCHEMBL31173249 0.81 CYP2C19 (0.58) CYP2C19HRH3KMT2AMEN1MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219465-A2 PRMT5 INHIBITORS AND USES THEREOF Epizyme Inc (US) 2023-08-02 EP disclosed
WO-2021155321-A2 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2021-08-05 WO disclosed
EP-2855459-B1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-04-29 EP disclosed
EP-2935247-B1 PRMT5 INHIBITORS AND USES THEREOF EPIZYME INC (US) 2019-08-28 EP disclosed
WO-2019152437-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2019-08-08 WO disclosed
EP-3498701-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme Inc (US) 2019-06-19 EP disclosed
EP-2935243-B1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF EPIZYME INC (US) 2018-03-14 EP disclosed
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-11-23 US disclosed
US-9745291-B2 PRMT5 inhibitors containing a dihydro- or tetrahydroisoquinoline and uses thereof Epizyme, Inc. (US) 2017-08-29 US disclosed
US-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-07-27 US disclosed
US-20150344434-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-12-03 US disclosed
US-20150344433-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE 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-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
WO-2014100734-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-06-26 WO disclosed
WO-2014100730-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF Epizyme, Inc. (US) 2014-06-26 WO disclosed
WO-2014100719-A2 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-06-26 WO disclosed
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 WO disclosed
US-4203988-A ANTISECRETORY AGENTS MERCK & CO., INC. (US) 1980-05-20 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 (6 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-20150252031-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 CYP2C19 3456/4885HRH3 1460/4885NOS2 491/4885
US-20150344433-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF PRMT5, PRMT1, PRMT3 CYP2C19 3407/4885HRH3 1072/4885NOS2 454/4885
US-20140329794-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 CYP2C19 3456/4885HRH3 1460/4885NOS2 491/4885
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 CYP2C19 2802/4885HRH3 629/4885NOS2 221/4885
US-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 CYP2C19 2067/4885HRH3 1208/4885NOS2 773/4885
US-20150344434-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 CYP2C19 3097/4885HRH3 683/4885NOS2 250/4885

“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.