Sugi Predict

Sugi Predict / Compounds / SCHEMBL16059776

SCHEMBL16059776

SCHEMBL16059776

Cc1ccc(Br)c2[nH]ncc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 2/20 0.46
▸ MAPT P10636 1/20 0.43
▸ AXL P30530 1/20 0.41
▸ HTT P42858 2/20 0.35
▸ PTK2 Q05397 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ HAO1 Q9UJM8 1/20 0.33
▸ METAP2 P50579 2/20 0.32
▸ IDO1 P14902 3/20 0.32
▸ TDO2 P48775 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ DRD4 P21917 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CHEK1 O14757 1/20 0.31
▸ AURKA O14965 1/20 0.31
▸ BRAF P15056 1/20 0.30
▸ EIF2AK3 Q9NZJ5 1/20 0.30
▸ TRPA1 O75762 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
SCHEMBL30860972 0.84 NOS1 (0.46) NOS1MAPTAXLHTTPTK2
SCHEMBL15687490 0.84 NOS1 (0.46) NOS1MAPTAXLHTTPTK2
SCHEMBL14553409 0.83 NOS1 (0.52) NOS1MAPTAXLHTTPTK2
SCHEMBL31148280 0.83 NOS1 (0.52) NOS1MAPTAXLHTTPTK2
SCHEMBL6127809 0.83 MAPT (0.48) NOS1MAPTHTTPTK2ALDH1A1
SCHEMBL23478332 0.76 NOS1 (0.46) NOS1AXLMETAP2IDO1TDO2
SCHEMBL15717018 0.76 MAPT (0.52) MAPTHTTPTK2ALDH1A1METAP2
SCHEMBL31198773 0.76 NOS1 (0.46) NOS1MAPTHTTPTK2ALDH1A1
SCHEMBL13184306 0.76 NOS1 (0.46) NOS1MAPTHTTPTK2ALDH1A1
SCHEMBL806451 0.76 MAPT (0.43) MAPTHTTPTK2ALDH1A1METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025132542-A1 MACROCYCLIC OREXIN AGONISTS IDORSIA PHARMACEUTICALS LTD (CH) 2025-06-26 — — WO disclosed
US-10174019-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2019-01-08 — — US disclosed
US-20180208591-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2018-07-26 — — US disclosed
US-9776996-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2017-10-03 — — US disclosed
US-20160326170-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2016-11-10 — — US disclosed
US-20160244464-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. 2016-08-25 — — US disclosed
US-9365570-B2 Substituted 6, 5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2016-06-14 — — US disclosed
US-20160031907-A1 Substituted Benzene Compounds Epizyme, Inc. 2016-02-04 — — US disclosed
US-20160024081-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds Epizyme, Inc. 2016-01-28 — — US disclosed
US-9243001-B2 Substituted benzene compounds Epizyme, Inc. (US) 2016-01-26 — — US disclosed
EP-2970281-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2016-01-20 — — EP disclosed
EP-2970306-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. (US) 2016-01-20 — — EP disclosed
US-20150246916-A1 Substituted 6, 5-Fused Bicyclic Heteroaryl Compounds Epizyme, Inc. 2015-09-03 — — US disclosed
US-9045477-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2015-06-02 — — US disclosed
WO-2014172044-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2014-10-23 — — WO disclosed
US-20140315945-A1 Substituted Benzene Compounds Epizyme, Inc. (US) 2014-10-23 — — US disclosed
US-20140296283-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds Epizyme, Inc. (US) 2014-10-02 — — US disclosed
WO-2014144747-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. (US) 2014-09-18 — — 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 (9 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-20160024081-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 NOS1 1746/4885MAPT 4172/4885AXL 3098/4885
US-20160031907-A1 Substituted Benzene Compounds CYP1B1, CYP4B1, CYP2B6 NOS1 3701/4885MAPT 4438/4885AXL 3224/4885
US-20150246916-A1 Substituted 6, 5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 NOS1 1746/4885MAPT 4172/4885AXL 3098/4885
US-20140296283-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 NOS1 1746/4885MAPT 4172/4885AXL 3098/4885
US-10174019-B2 Substituted 6,5-fused bicyclic heteroaryl compounds CYP3A5, PAICS, CYP4B1 NOS1 1746/4885MAPT 4172/4885AXL 3098/4885
US-20160326170-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, PAICS, CYP4B1 NOS1 1746/4885MAPT 4172/4885AXL 3098/4885
US-20140315945-A1 Substituted Benzene Compounds VHL, AHR, TP53 NOS1 1420/4885MAPT 3772/4885AXL 2193/4885
US-20180208591-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, PAICS, CYP4B1 NOS1 1746/4885MAPT 4172/4885AXL 3098/4885
US-20160244464-A1 SUBSTITUTED BENZENE COMPOUNDS VHL, AHR, TP53 NOS1 1420/4885MAPT 3772/4885AXL 2193/4885

“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.