SCHEMBL18672971

SCHEMBL18672971

CC(C)(C)c1cccc(NC2COC2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 1/20 0.38
▸ SYK P43405 5/20 0.38
▸ KCNH2 Q12809 2/20 0.38
▸ KIF18A Q8NI77 4/20 0.37
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ IDH1 O75874 2/20 0.32
▸ CCR6 P51684 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ CLK4 Q9HAZ1 1/20 0.31
▸ PDE10A Q9Y233 1/20 0.31
▸ MKNK1 Q9BUB5 1/20 0.31

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
SCHEMBL18466030 0.84 CCNT1 (0.43) CTSKSYKKCNH2CCNT1IRAK4
SCHEMBL17303977 0.78 PDE10A (0.45) PDE10A
SCHEMBL19171719 0.77 PRMT5 (0.33) CCNT1CDK9IDH1
SCHEMBL25059341 0.75 CTSK (0.37) CTSKCCNT1CDK9IRAK4IDH1
SCHEMBL21566709 0.74 CCNT1 (0.47) CTSKSYKKCNH2CCNT1CDK9
SCHEMBL15830313 0.74 SYK (0.38) CTSKSYKKCNH2CCNT1CDK9
SCHEMBL17300821 0.73 HMGCR (0.33) CCNT1CDK9
SCHEMBL17306680 0.73 CCNT1 (0.32) CCNT1CDK9
SCHEMBL17300831 0.73 PTGS2 (0.32) CCNT1CDK9MKNK1MKNK2
SCHEMBL12915422 0.72 SYK (0.36) SYKKCNH2KIF18ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-9604930-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2017-03-28 — — 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 (4 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-10307413-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof PRMT5, PRMT1, PRMT3 CTSK 4745/4885SYK 3556/4885KCNH2 3856/4885
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 CTSK 4745/4885SYK 3556/4885KCNH2 3856/4885
US-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 CTSK 4766/4885SYK 2199/4885KCNH2 3717/4885
US-20180162847-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF PRMT5, PRMT1, PRMT3 CTSK 4664/4885SYK 3357/4885KCNH2 4127/4885

“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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