Sugi Predict

Sugi Predict / Compounds / SCHEMBL11921165

SCHEMBL11921165

SCHEMBL11921165

CC(C)(C)c1ncnc2ncccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.39
▸ NPC1 O15118 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ TNNI3K Q59H18 1/20 0.33
▸ HCAR2 Q8TDS4 1/20 0.33
▸ GRM4 Q14833 4/20 0.32
▸ KMT2A Q03164 3/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ CCR1 P32246 1/20 0.31
▸ CCR8 P51685 1/20 0.31
▸ PSMD14 O00487 1/20 0.31
▸ COPS5 Q92905 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ PABPC1 P11940 1/20 0.31

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
SCHEMBL12140432 0.82 EGFR (0.35) EGFRNPC1HSP90AA1L3MBTL1LMNA
SCHEMBL14289098 0.76 MAPT (0.39) NPC1HSP90AA1L3MBTL1LMNAKDM4E
SCHEMBL14289101 0.76 — —
SCHEMBL12371084 0.74 HCAR2 (0.37) NPC1HSP90AA1L3MBTL1LMNAKDM4E
SCHEMBL31662896 0.74 L3MBTL1 (0.45) EGFRNPC1HSP90AA1L3MBTL1LMNA
SCHEMBL12560150 0.74 L3MBTL1 (0.45) EGFRNPC1HSP90AA1L3MBTL1LMNA
SCHEMBL803121 0.72 PI4KA (0.50) EGFRNPC1L3MBTL1LMNAALDH1A1
SCHEMBL7810879 0.72 LMNA (0.42) NPC1HSP90AA1L3MBTL1LMNAKDM4E
Charcoal, Activated SCHEMBL11434519 0.72 L3MBTL1 (0.43) EGFRNPC1HSP90AA1L3MBTL1LMNA
SCHEMBL6371727 0.71 EGFR (0.40) EGFRNPC1HSP90AA1L3MBTL1LMNA

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
US-20230028658-A1 EXPANDED DOSAGE REGIMENS FOR INTEGRIN INHIBITORS PLIANT THERAPEUTICS INC (US) 2023-01-26 — — US disclosed
WO-2020163193-A1 BICYCLIC ETHER O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLUCOPYRANOSIDASE INHIBITORS BIOGEN MA INC. (US) 2020-08-13 — — WO disclosed
US-20120214807-A1 COMPOUNDS USEFUL AS ANTAGONISTS OF CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-08-23 — — US disclosed
US-20120214807-A1 COMPOUNDS USEFUL AS ANTAGONISTS OF CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-08-23 — — US disclosed
US-20120208818-A1 COMPOUNDS USEFUL AS ANTAGONISTS OF CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-08-16 — — US disclosed
US-8067415-B2 Compounds useful as antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-29 — — US disclosed
US-8067415-B2 Compounds useful as antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-29 — — US disclosed
US-8067457-B2 Compounds useful as antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-29 — — US disclosed
US-20110150833-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-06-23 — — US disclosed
US-20110098305-A1 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE BAELL JONATHAN BAYLDON 2011-04-28 — — US disclosed
US-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 — — US disclosed
US-20100016289-A1 Compounds Useful as Antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. 2010-01-21 — — US disclosed
US-20100016289-A1 Compounds Useful as Antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. 2010-01-21 — — US disclosed
US-20090197884-A1 Compounds Useful as Antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-08-06 — — US disclosed
US-20090197884-A1 Compounds Useful as Antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-08-06 — — US disclosed
US-20090163497-A1 Compounds Useful as Antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. 2009-06-25 — — US disclosed
US-20090163497-A1 Compounds Useful as Antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. 2009-06-25 — — US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 — — 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 (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-20120214807-A1 COMPOUNDS USEFUL AS ANTAGONISTS OF CCR2 CCR2, CCR1, CXCR3 EGFR 1181/4885NPC1 712/4885HSP90AA1 2799/4885
US-20100016289-A1 Compounds Useful as Antagonists of CCR2 CCR2, CCR1, CXCR3 EGFR 1172/4885NPC1 709/4885HSP90AA1 2675/4885
US-20090197884-A1 Compounds Useful as Antagonists of CCR2 CCR2, CCR1, CXCR3 EGFR 1181/4885NPC1 712/4885HSP90AA1 2799/4885
US-20090163497-A1 Compounds Useful as Antagonists of CCR2 CCR2, CCR1, CXCR3 EGFR 1169/4885NPC1 680/4885HSP90AA1 2727/4885
US-20120208818-A1 COMPOUNDS USEFUL AS ANTAGONISTS OF CCR2 CCR2, CCR1, CXCR3 EGFR 1181/4885NPC1 712/4885HSP90AA1 2799/4885
US-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK EGFR 4616/4885NPC1 255/4885HSP90AA1 3509/4885
US-20230028658-A1 EXPANDED DOSAGE REGIMENS FOR INTEGRIN INHIBITORS ITGB6, ITGAV, ITGA6 EGFR 932/4885NPC1 2326/4885HSP90AA1 2180/4885
US-20110098305-A1 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE BAX, API5, BCL2 EGFR 3840/4885NPC1 2292/4885HSP90AA1 1304/4885
US-20110150833-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS ROCK1, RHOA, RHOT2 EGFR 3603/4885NPC1 3662/4885HSP90AA1 283/4885

“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.

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