SCHEMBL864036

SCHEMBL864036

Brc1ncnn2cccc12

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 8/20 0.60
PIK3CA P42336 1/20 0.47
PDE10A Q9Y233 1/20 0.41
EGFR P00533 2/20 0.40
KDR P35968 2/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
AAK1 Q2M2I8 2/20 0.33
AXL P30530 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
CHRNA7 P36544 1/20 0.33
HTR3A P46098 1/20 0.33

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
SCHEMBL17130415 0.77 MAP4K4 (0.62) MAP4K4PIK3CAPDE10AEGFRKDR
SCHEMBL867042 0.75 MAP4K4 (0.60) MAP4K4PIK3CAPDE10AEGFRKDR
SCHEMBL14044627 0.75 MAP4K4 (0.60) MAP4K4PIK3CAPDE10AEGFRKDR
SCHEMBL58274 0.75 MAP4K4 (1.00) MAP4K4PIK3CAPDE10AEGFRKDR
SCHEMBL4818798 0.75 MAP4K4 (0.60) MAP4K4PIK3CAPDE10AEGFRKDR
SCHEMBL25776743 0.75 MAP4K4 (0.60) MAP4K4PIK3CAPDE10AEGFRKDR
Hydrochloric Acid SCHEMBL15019896 0.73 MAP4K4 (0.96) MAP4K4PIK3CAPDE10AEGFRKDR
Hydrochloric Acid SCHEMBL30590600 0.73 MAP4K4 (0.96) MAP4K4PIK3CAPDE10AEGFRKDR
Iodide SCHEMBL30111106 0.73 MAP4K4 (0.96) MAP4K4PIK3CAPDE10AEGFRKDR
SCHEMBL1811759 0.72 AXL (0.52) MAP4K4PIK3CAPDE10AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111233869-B Novel compound for preparing Rudexilvir key intermediate and preparation method thereof 杭州新博思生物医药有限公司 2022-09-16 CN disclosed
EP-2396315-B1 QUINOLINE DERIVATIVES AS PI3K KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2016-08-31 EP disclosed
US-8957090-B2 Fused bicyclic pyridine and pyrazine derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2015-02-17 US disclosed
EP-2499126-B1 FUSED BICYCLIC PYRIDINE AND PYRAZINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2015-01-07 EP disclosed
US-8513284-B2 Fused pyridine and pyrazine derivatives as kinase inhibitors UCB PHARMA, S.A. (BE) 2013-08-20 US disclosed
US-20130165445-A1 Aurora Kinase Modulators and Method of Use AMGEN INC. (US) 2013-06-27 US disclosed
US-8404694-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2013-03-26 US disclosed
US-20130012515-A1 Fused Bicyclic Pyridine and Pyrazine Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2013-01-10 US disclosed
US-20120077815-A1 Fused Pyridine And Pyrazine Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-03-29 US disclosed
US-20110065709-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2011-03-17 US disclosed
US-20060004007-A1 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY 2006-01-05 US disclosed
US-6982265-B1 Pyrrolotriazine inhibitors of kinases BRISTOL MYERS SQUIBB COMPANY (US) 2006-01-03 US disclosed
US-20040229877-A1 Methods of treating p38 kinase-associated conditions with pyrrolotriazine compounds LEFTHERIS KATERINA (US) 2004-11-18 US disclosed
US-6670357-B2 Antiinflammatory agents BRISTOL-MYERS SQUIBB COMPANY 2003-12-30 US disclosed
EP-1363910-A2 METHODS OF TREATING P38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2003-11-26 EP disclosed
US-20030069244-A1 Methods of treating p38 kinase-associated conditions and pyrrolotriazine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-04-10 US disclosed
EP-1183033-A4 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL MYERS SQUIBB CO (US) 2002-07-17 EP disclosed
WO-2002040486-A2 METHODS OF TREATING p38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-05-23 WO disclosed
EP-1183033-A1 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-03-06 EP disclosed
WO-2000071129-A1 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2000-11-30 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 (7 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-20030069244-A1 Methods of treating p38 kinase-associated conditions and pyrrolotriazine compounds useful as kinase inhibitors MAPK1, MAPK3, MAPK6 MAP4K4 51/4885PIK3CA 820/4885PDE10A 3212/4885
US-20120077815-A1 Fused Pyridine And Pyrazine Derivatives As Kinase Inhibitors PDPK1, PDXK, PIK3CA MAP4K4 34/4885PIK3CA 3/4885PDE10A 1743/4885
US-20130012515-A1 Fused Bicyclic Pyridine and Pyrazine Derivatives as Kinase Inhibitors MAP3K13, MAP3K15, MAP3K12 MAP4K4 34/4885PIK3CA 260/4885PDE10A 1943/4885
US-20110065709-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, AURKB MAP4K4 224/4885PIK3CA 98/4885PDE10A 3870/4885
US-20060004007-A1 Pyrrolotriazine inhibitors of kinases FGFR1, FGFR2, ERBB2 MAP4K4 293/4885PIK3CA 108/4885PDE10A 4416/4885
US-20130165445-A1 Aurora Kinase Modulators and Method of Use AURKC, AURKA, AURKB MAP4K4 224/4885PIK3CA 98/4885PDE10A 3870/4885
US-20040229877-A1 Methods of treating p38 kinase-associated conditions with pyrrolotriazine compounds MAPK1, MAPK6, MAPK3 MAP4K4 39/4885PIK3CA 893/4885PDE10A 3293/4885

“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.