SCHEMBL2760091

SCHEMBL2760091

CCN1CCn2cnnc2C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.44
LTA4H P09960 2/20 0.41
DPP4 P27487 3/20 0.34
DPP8 Q6V1X1 2/20 0.34
NAMPT P43490 1/20 0.33
KMT2A Q03164 1/20 0.33
EPHX2 P34913 1/20 0.32
IDH1 O75874 1/20 0.32
EED O75530 1/20 0.32
NOTUM Q6P988 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
CHRNA7 P36544 1/20 0.32
ALDH1A1 P00352 1/20 0.31
PARP1 P09874 1/20 0.30
CDK1 P06493 1/20 0.30
MYT1 Q01538 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
SCHEMBL3419564 0.81 COMT (0.41) PDPK1LTA4HDPP4DPP8NAMPT
SCHEMBL20227949 0.73 PDPK1 (0.40) PDPK1LTA4HDPP4DPP8NAMPT
SCHEMBL14753226 0.71 DPP4 (0.52) PDPK1DPP4DPP8NAMPTKMT2A
SCHEMBL14846668 0.71 LTA4H (0.50) PDPK1LTA4HDPP4DPP8KMT2A
SCHEMBL12835926 0.71 PDPK1 (0.48) PDPK1LTA4HDPP4DPP8NAMPT
SCHEMBL6369633 0.70 SCD (0.36) NAMPTIDH1EEDCHRNA7ALDH1A1
SCHEMBL9963423 0.70 PDPK1 (0.44) PDPK1LTA4HDPP4DPP8NAMPT
SCHEMBL4403635 0.70 SLC2A1 (0.38) DPP4NOTUMCHRNA7ALDH1A1
SCHEMBL23230074 0.69 LTA4H (0.41) PDPK1LTA4HDPP4DPP8EPHX2
SCHEMBL24688469 0.68 HRH3 (0.36) PDPK1DPP4DPP8HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11766435-B2 N3-substituted iminopyrimidinones as antimalarial agents MERCK SHARP & DOHME LLC (US) 2023-09-26 US disclosed
US-11680064-B2 Capsid inhibitors for the treatment of HIV GILEAD SCIENCES, INC. (US) 2023-06-20 US disclosed
US-20210317134-A1 UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 7 (USP7) MODULATORS AND USES THEREOF RAPT THERAPEUTICS INC (US) 2021-10-14 US disclosed
US-20200230140-A1 N3-SUBSTITUTED IMINOPYRIMIDINONES AS ANTIMALARIAL AGENTS MERCK SHARP & DOHME CORP. (US) 2020-07-23 US disclosed
WO-2020037079-A1 SUBSTITUTED INDOLES AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2020-02-20 WO disclosed
US-9745321-B2 Fused pyrimidine compound, intermediate, preparation method therefor, and composition and application thereof SHANGHAI YINGLI PHARMACEUTICAL CO., LTD (CN) 2017-08-29 US disclosed
US-20160214994-A1 FUSED PYRIMIDINE COMPOUND, INTERMEDIATE, PREPARATION METHOD THEREFOR, AND COMPOSITION AND APPLICATION THEREOF SHANGHAI YINGLI PHARMACEUTICAL CO., LTD (CN) 2016-07-28 US disclosed
US-20160120863-A1 SLC2A TRANSPORTER INHIBITORS IOMET PHARMA LTD. (GB) 2016-05-05 US disclosed
US-8906913-B2 Azabicyclohexanes PANACEA BIOTEC LIMITED (IN) 2014-12-09 US disclosed
WO-2014187922-A1 SLC2A TRANSPORTER INHIBITORS IOMET PHARMA LTD. (GB) 2014-11-27 WO disclosed
US-8088770-B2 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20110207713-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-08-25 US disclosed
US-20110046145-A1 Quinolizidinone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2011-02-24 US disclosed
US-20110046145-A1 Quinolizidinone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2011-02-24 US disclosed
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. 2010-12-02 US disclosed
US-20100305084-A1 BICYCLIC INDOLE-PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE HOFFMAN-LA ROCHE INC. 2010-12-02 US disclosed
US-7745460-B2 Modulators of cellular adhesion SARCODE CORPORATION (US) 2010-06-29 US disclosed
WO-2009117283-A2 QUINOLIZIDINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK & CO., INC. (US) 2009-09-24 WO disclosed
US-20090181902-A1 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES,INC. (US) 2009-07-16 US disclosed
US-20080176896-A1 Modulators of cellular adhesion BAUSCH + LOMB IRELAND LIMITED (IE) 2008-07-24 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 (12 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-20160214994-A1 FUSED PYRIMIDINE COMPOUND, INTERMEDIATE, PREPARATION METHOD THEREFOR, AND COMPOSITION AND APPLICATION THEREOF PIK3CA, WEE1, TKFC PDPK1 20/4885LTA4H 1492/4885DPP4 417/4885
US-20090181902-A1 Modulators of pharmacokinetic properties of therapeutics SLC10A1, SLC10A2, SLC26A4 PDPK1 4208/4885LTA4H 1337/4885DPP4 629/4885
US-20080176896-A1 Modulators of cellular adhesion ITGB1, VCAM1, ITGB8 PDPK1 2811/4885LTA4H 242/4885DPP4 4224/4885
US-20110046145-A1 Quinolizidinone M1 Receptor Positive Allosteric Modulators CHRM1, CHRM2, OPRL1 PDPK1 1448/4885LTA4H 943/4885DPP4 3100/4885
US-20200230140-A1 N3-SUBSTITUTED IMINOPYRIMIDINONES AS ANTIMALARIAL AGENTS CTSL, ANPEP, PRSS1 PDPK1 2685/4885LTA4H 2041/4885DPP4 91/4885
US-11766435-B2 N3-substituted iminopyrimidinones as antimalarial agents CTSL, ANPEP, PRSS1 PDPK1 2685/4885LTA4H 2041/4885DPP4 91/4885
US-20160120863-A1 SLC2A TRANSPORTER INHIBITORS SLCO1A2, SLCO2B1, SLCO2A1 PDPK1 4383/4885LTA4H 3087/4885DPP4 2602/4885
US-20100305084-A1 BICYCLIC INDOLE-PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PI4K2B, PIK3CA, PIK3R2 PDPK1 76/4885LTA4H 2269/4885DPP4 4756/4885
US-20210317134-A1 UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 7 (USP7) MODULATORS AND USES THEREOF USP7, SENP7, USP8 PDPK1 2364/4885LTA4H 1211/4885DPP4 236/4885
US-11680064-B2 Capsid inhibitors for the treatment of HIV HAVCR2, MAVS, CD4 PDPK1 1760/4885LTA4H 2614/4885DPP4 2507/4885
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD PDPK1 89/4885LTA4H 2801/4885DPP4 4694/4885
US-20110207713-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB PDPK1 7/4885LTA4H 1303/4885DPP4 2444/4885

“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.