SCHEMBL17300794

SCHEMBL17300794

CCOc1nc(NC2CNC2)cc(C(C)(C)C)n1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HRH3 Q9Y5N1 3/20 0.37
▸ HRH4 Q9H3N8 2/20 0.35
▸ HRH2 P25021 1/20 0.35
▸ FLT3 P36888 8/20 0.33
▸ SSTR4 P31391 1/20 0.31
▸ NRAS P01111 2/20 0.31
▸ IRAK4 Q9NWZ3 1/20 0.31
▸ ATM Q13315 1/20 0.30

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
SCHEMBL17300808 0.85 HRH4 (0.42) HRH3HRH4HRH2FLT3SSTR4
SCHEMBL15829873 0.82 HRH3 (0.39) NPSR1HRH3HRH4HRH2FLT3
SCHEMBL17300778 0.82 HRH3 (0.34) HRH3HRH4HRH2FLT3
SCHEMBL15834730 0.81 HRH3 (0.38) NPSR1HRH3HRH4HRH2FLT3
SCHEMBL17300798 0.80 HRH3 (0.36) HRH3HRH4HRH2FLT3
SCHEMBL17300826 0.77 HRH3 (0.39) HRH3HRH4HRH2FLT3IRAK4
SCHEMBL17300777 0.74 MALT1 (0.39) HRH3HRH4HRH2FLT3SSTR4
SCHEMBL17300822 0.74 HRH4 (0.42) HRH3HRH4HRH2FLT3
SCHEMBL18672931 0.73 HRH4 (0.49) HRH3HRH4HRH2FLT3
SCHEMBL17300781 0.72 FLT3 (0.43) NPSR1FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190343826-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. 2019-11-14 — — 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-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-9745291-B2 PRMT5 inhibitors containing a dihydro- or tetrahydroisoquinoline and uses thereof Epizyme, Inc. (US) 2017-08-29 — — 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-9604930-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2017-03-28 — — 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-20150344433-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF Epizyme, Inc. (US) 2015-12-03 — — 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 (8 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-20190343826-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 NPSR1 4503/4885HRH3 629/4885HRH4 530/4885
US-20150344433-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF PRMT5, PRMT1, PRMT3 NPSR1 4605/4885HRH3 1072/4885HRH4 1096/4885
US-10307413-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof PRMT5, PRMT1, PRMT3 NPSR1 4503/4885HRH3 629/4885HRH4 530/4885
US-20150361042-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 NPSR1 4591/4885HRH3 1549/4885HRH4 1689/4885
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 NPSR1 4503/4885HRH3 629/4885HRH4 530/4885
US-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 NPSR1 4049/4885HRH3 1208/4885HRH4 945/4885
US-20180162847-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF PRMT5, PRMT1, PRMT3 NPSR1 4605/4885HRH3 1072/4885HRH4 1096/4885
US-20150344434-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 NPSR1 4588/4885HRH3 683/4885HRH4 588/4885

“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.

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