Sugi Predict

Sugi Predict / Compounds / SCHEMBL8258647

SCHEMBL8258647

SCHEMBL8258647

Cc1cccc(-c2cn(C)cn2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2E1 P05181 1/20 0.57
▸ CYP2A6 P11509 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ CYP2B6 P20813 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ IRAK4 Q9NWZ3 1/20 0.47
▸ IDO1 P14902 1/20 0.46
▸ METAP2 P50579 1/20 0.46
▸ TLR8 Q9NR97 1/20 0.44
▸ LRRK2 Q5S007 1/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ KMO O15229 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ BCHE P06276 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43

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
SCHEMBL27927790 0.80 CYP2C9 (0.50) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL311156 0.80 CYP2E1 (0.65) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL9657296 0.80 CYP2E1 (0.56) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL30133185 0.80 HSD17B1 (0.56) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL3919604 0.80 CYP2E1 (0.56) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL23539461 0.80 CYP2E1 (0.56) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL30042352 0.80 CYP2E1 (0.56) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL8250569 0.79 LRRK2 (0.59) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL17300882 0.77 CYP2E1 (0.53) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL21566689 0.77 CYP2E1 (0.53) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3498701-B1 PRMT5 INHIBITORS AND USES THEREOF EPIZYME INC (US) 2023-02-22 — — EP disclosed
EP-2935247-B1 PRMT5 INHIBITORS AND USES THEREOF EPIZYME INC (US) 2019-08-28 — — 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-9604930-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2017-03-28 — — US disclosed
US-20150344434-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-12-03 — — US disclosed
US-8354531-B2 Compounds for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-15 — — US disclosed
US-20100197656-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 — — US disclosed
US-7723341-B2 Dihydrothienopyrimidines, suitable for the treatment of respiratory, gastrointestinal, inflammatory, nervous system disorders and/or cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2010-05-25 — — US disclosed
US-20090186875-A1 Dihydrothienopyrimidines, suitable for the treatment of respiratory, gastrointestinal, inflammatory, nervous system disorders and/or cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-23 — — US disclosed
US-7511045-B2 Dihydrothienopyrimidines; gastrointestinal disorders; cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-31 — — US disclosed
US-20070259846-A1 Dihydrothienopyrimidines; gastrointestinal disorders; cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-08 — — US disclosed
WO-2006114371-A1 NOVEL COMPOUNDS FOR TREATING INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-02 — — WO 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-20090186875-A1 Dihydrothienopyrimidines, suitable for the treatment of respiratory, gastrointestinal, inflammatory, nervous system disorders and/or cancer DPYD, DHODH, FH CYP2E1 59/4885CYP2A6 148/4885CYP2C9 120/4885
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 CYP2E1 1748/4885CYP2A6 3503/4885CYP2C9 2246/4885
US-20100197656-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISEASES TPMT, MALT1, IL1B CYP2E1 135/4885CYP2A6 261/4885CYP2C9 349/4885
US-20070259846-A1 Dihydrothienopyrimidines; gastrointestinal disorders; cancer DPYD, DHODH, DPM1 CYP2E1 109/4885CYP2A6 316/4885CYP2C9 132/4885
US-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 CYP2E1 2097/4885CYP2A6 3245/4885CYP2C9 1505/4885
US-20150344434-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 CYP2E1 2010/4885CYP2A6 3635/4885CYP2C9 2494/4885

“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.