SCHEMBL16885719

SCHEMBL16885719

Cn1cnc(-c2ccccc2C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 3/20 0.42
▸ CYP2E1 P05181 1/20 0.42
▸ CYP2A6 P11509 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2B6 P20813 1/20 0.42
▸ LRRK2 Q5S007 1/20 0.39
▸ CASP6 P55212 1/20 0.37
▸ TRPA1 O75762 1/20 0.37
▸ CYP1A2 P05177 3/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSD11B1 P28845 2/20 0.34
▸ PIK3C3 Q8NEB9 1/20 0.34
▸ FTO Q9C0B1 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33

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
SCHEMBL17194995 0.85 LRRK2 (0.40) CYP2C19CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL18415118 0.82 ALDH1A1 (0.40) CYP2C19CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL13564332 0.77 CASP6 (0.48) CYP2C19CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL15829876 0.77 CYP1A2 (0.49) CYP2C19CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL16891571 0.72 CYP2C19 (0.46) CYP2C19CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL26855947 0.72 CYP2E1 (0.42) CYP2C19CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL22635577 0.72 CYP2C9 (0.43) CYP2C19CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL9261080 0.71 KMT2A (0.50) CASP6TRPA1ALDH1A1TDP1TSHR
SCHEMBL20102297 0.71 CYP2E1 (0.45) CYP2C19CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL9258894 0.71 KDM4E (0.50) CYP1A2LMNAPKMALDH1A1TDP1

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-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-9765068-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2017-09-19 — — 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-9604930-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2017-03-28 — — US disclosed
US-20160368907-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-12-22 — — 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
US-20150191432-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-07-09 — — 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-20150191432-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 CYP2C19 3456/4885CYP2E1 2425/4885CYP2A6 4000/4885
US-20150344433-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF PRMT5, PRMT1, PRMT3 CYP2C19 3407/4885CYP2E1 2456/4885CYP2A6 3906/4885
US-20160368907-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 CYP2C19 3456/4885CYP2E1 2425/4885CYP2A6 4000/4885
US-20150361042-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 CYP2C19 3509/4885CYP2E1 2548/4885CYP2A6 3873/4885
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 CYP2C19 2802/4885CYP2E1 1748/4885CYP2A6 3503/4885
US-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 CYP2C19 2067/4885CYP2E1 2097/4885CYP2A6 3245/4885
US-20180162847-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF PRMT5, PRMT1, PRMT3 CYP2C19 3407/4885CYP2E1 2456/4885CYP2A6 3906/4885
US-20150344434-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 CYP2C19 3097/4885CYP2E1 2010/4885CYP2A6 3635/4885

“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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