Sugi Predict

Sugi Predict / Compounds / SCHEMBL4167148

SCHEMBL4167148

SCHEMBL4167148

CCc1ccc2cc[nH]c2n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 2/20 0.41
▸ NUDT1 P36639 1/20 0.41
▸ BRD4 O60885 1/20 0.39
▸ PARP1 P09874 2/20 0.34
▸ APP P05067 1/20 0.34
▸ PARP2 Q9UGN5 1/20 0.32
▸ FGFR1 P11362 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ MAOA P21397 1/20 0.31
▸ CDK8 P49336 2/20 0.31
▸ MAPK1 P28482 1/20 0.30
▸ PIK3CD O00329 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ PIK3CB P42338 1/20 0.30
▸ PIK3CG P48736 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
SCHEMBL12874655 0.81 KCNH2 (0.43) AXLNUDT1BRD4APPFGFR1
SCHEMBL11888031 0.80 AXL (0.38) AXLNUDT1BRD4APPFGFR1
SCHEMBL12807007 0.80 KCNH2 (0.50) AXLNUDT1BRD4
SCHEMBL31283256 0.79 AXL (0.41) AXLNUDT1BRD4APPCDK8
SCHEMBL6929283 0.79 CCR1 (0.50) AXLNUDT1BRD4APPCDK8
SCHEMBL6928507 0.79 CCR1 (0.50) AXLNUDT1BRD4APPCDK8
SCHEMBL10130905 0.79 AXL (0.37) AXLNUDT1BRD4APPCDK8
SCHEMBL18430380 0.79 AXL (0.37) AXLNUDT1BRD4APPMAPK1
SCHEMBL5925823 0.79 AXL (0.37) AXLNUDT1BRD4APP
Hydrochloric Acid SCHEMBL4976930 0.78 AXL (0.39) AXLNUDT1BRD4APPCDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023282702-A1 SHP2 INHIBITOR AND USE THEREOF 주식회사 카나프테라퓨틱스 2023-01-12 — — WO disclosed
EP-4059932-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2022-09-21 — — EP disclosed
US-20210213014-A1 METHODS OF USING EHMT2 INHIBITORS IN IMMUNOTHERAPIES Epizyme, Inc. 2021-07-15 — — US disclosed
WO-2021121294-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 上海赛默罗生物科技有限公司 2021-06-24 — — WO disclosed
WO-2020081508-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2020-04-23 — — WO disclosed
WO-2015058084-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-23 — — WO disclosed
US-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-05-15 — — US disclosed
WO-2013010880-A1 NEW CRTH2 ANTAGONISTS ALMIRALL, S.A. (ES) 2013-01-24 — — WO disclosed
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN (US) 2012-02-09 — — US disclosed
US-20100041618-A1 6-11 Bridged Oxime Erythromycin Derivatives ENANTA PHARMACEUTICALS, INC. 2010-02-18 — — US disclosed
US-7361671-B2 Substituted heteroarylalkanoic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, INC. (US) 2008-04-22 — — US disclosed
US-20080027012-A1 BRIDGED CARBAMATE MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-01-31 — — US disclosed
WO-2008014221-A2 BRIDGED CARBAMATE MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2008-01-31 — — WO disclosed
US-7312201-B2 Tetracyclic bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-12-25 — — US disclosed
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2007-10-18 — — US disclosed
US-20070232554-A1 3,6-Bridged 9,12-oxolides ENATA PHARMACEUTICALS, INC. 2007-10-04 — — US disclosed
US-7273853-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 — — US disclosed
US-7229972-B2 Semisynthetic trimethylenedioxy-erythromycin derivatives and their use in treating bacterial infections and cystic fibrosis; preparation ENANTA PHARMACEUTICALS, INC. (US) 2007-06-12 — — US disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 — — US disclosed
US-20030166668-A1 Substituted heteroarylalkanoic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, INC. A CORPORATION OF THE STATE OF DELAWARE 2003-09-04 — — 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-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES AKR1C2, AKR1C3, AKR1C1 AXL 3772/4885NUDT1 2788/4885BRD4 1814/4885
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 AXL 3772/4885NUDT1 2788/4885BRD4 1814/4885
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 AXL 3772/4885NUDT1 2788/4885BRD4 1814/4885
US-20100041618-A1 6-11 Bridged Oxime Erythromycin Derivatives CYP2D6, CYP2B6, CYP1B1 AXL 1600/4885NUDT1 3271/4885BRD4 2500/4885
US-20030166668-A1 Substituted heteroarylalkanoic acids GPR119, LIPA, DDC AXL 2731/4885NUDT1 1601/4885BRD4 4031/4885
US-20070232554-A1 3,6-Bridged 9,12-oxolides CYP2C9, CYP2C19, CYP2D6 AXL 2912/4885NUDT1 909/4885BRD4 4095/4885
US-20080027012-A1 BRIDGED CARBAMATE MACROLIDES HDAC6, SI, HDAC3 AXL 3381/4885NUDT1 2262/4885BRD4 1477/4885
US-20210213014-A1 METHODS OF USING EHMT2 INHIBITORS IN IMMUNOTHERAPIES EHMT2, BHMT2, BHMT AXL 4603/4885NUDT1 60/4885BRD4 764/4885

“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.