Sugi Predict

Sugi Predict / Compounds / SCHEMBL1077009

SCHEMBL1077009

SCHEMBL1077009

Nc1cccc(-n2cncn2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.53
▸ CHRNA7 P36544 1/20 0.46
▸ MAPT P10636 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CASP1 P29466 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ADRA2C P18825 1/20 0.41
▸ CYP3A4 P08684 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ GRK6 P43250 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL11926858 0.86 CYP2A6 (0.62) CYP2A6CHRNA7KDM4EALDH1A1SMN1; SMN2
SCHEMBL2358748 0.80 KDM4E (0.46) CYP2A6CHRNA7MAPTKDM4EALDH1A1
SCHEMBL2095967 0.79 CYP2A6 (0.50) CYP2A6CHRNA7KDM4EALDH1A1SMN1; SMN2
SCHEMBL1187043 0.78 CYP2A6 (0.53) CYP2A6CHRNA7KDM4EALDH1A1SMN1; SMN2
SCHEMBL1788007 0.78 CYP2A6 (0.53) CYP2A6CHRNA7KDM4EALDH1A1SMN1; SMN2
SCHEMBL6271346 0.78 CYP2A6 (0.53) CYP2A6CHRNA7KDM4EALDH1A1SMN1; SMN2
SCHEMBL30797819 0.78 CYP2A6 (0.53) CYP2A6CHRNA7KDM4EALDH1A1SMN1; SMN2
SCHEMBL657643 0.78 CYP2A6 (0.53) CYP2A6CHRNA7KDM4EALDH1A1SMN1; SMN2
SCHEMBL9454459 0.78 CYP2A6 (0.53) CYP2A6CHRNA7KDM4EALDH1A1SMN1; SMN2
SCHEMBL3147154 0.78 CYP2A6 (0.53) CYP2A6CHRNA7KDM4EALDH1A1SMN1; SMN2

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 94 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12012411-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-06-18 — — US disclosed
US-20220106321-A1 VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-04-07 — — US disclosed
US-11279704-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-03-22 — — US disclosed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 — — US disclosed
EP-3617192-A1 VIRAL REPLICATION INHIBITORS Katholieke Universiteit Leuven K.U. Leuven R&D (BE) 2020-03-04 — — EP disclosed
US-10550123-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2020-02-04 — — US disclosed
US-20190337954-A1 VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2019-11-07 — — US disclosed
EP-2760831-B1 VIRAL REPLICATION INHIBITORS UNIV LEUVEN KATH (BE) 2019-08-07 — — EP disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 — — US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 — — US disclosed
US-6426345-B1 PHOSPHODIESTERASE INHIBITORS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-30 — — US disclosed
EP-1216240-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-06-26 — — EP disclosed
WO-2001087845-A2 N-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS 5-HT ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-22 — — WO disclosed
WO-2001025229-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-12 — — WO disclosed
CN-1250776-A Heterodicyclic compound derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2000-04-19 — — CN disclosed
CN-1051548-C Heterobicyclic derivatives, pharmaceutical compositions containing them, process for preparing them and their use FUJISAWA PHARMACEUTICAL CO (JP) 2000-04-19 — — CN disclosed
EP-0920867-A1 Pyrido[2,3-a]pyrazine derivatives as PDE-IV and TNF inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-06-09 — — EP disclosed
CN-1157617-A Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-20 — — CN disclosed
EP-0770079-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-02 — — EP disclosed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 — — 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 (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-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK CYP2A6 4092/4885CHRNA7 1929/4885MAPT 470/4885
US-11279704-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 CYP2A6 3717/4885CHRNA7 4882/4885MAPT 3097/4885
US-20190337954-A1 VIRAL REPLICATION INHIBITORS EIF2AK2, MAVS, ZC3HAV1 CYP2A6 3717/4885CHRNA7 4882/4885MAPT 3097/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK CYP2A6 4043/4885CHRNA7 2009/4885MAPT 438/4885
US-10550123-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 CYP2A6 3717/4885CHRNA7 4882/4885MAPT 3097/4885
US-20220106321-A1 VIRAL REPLICATION INHIBITORS EIF2AK2, MAVS, ZC3HAV1 CYP2A6 3717/4885CHRNA7 4882/4885MAPT 3097/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK CYP2A6 4043/4885CHRNA7 2009/4885MAPT 438/4885
US-12012411-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 CYP2A6 3717/4885CHRNA7 4882/4885MAPT 3097/4885

“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.