SCHEMBL546253

SCHEMBL546253

Nc1c[nH]nc1-c1nc2cc(CN3CCOCC3)ccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 4/20 0.45
FGFR2 P21802 3/20 0.45
FGFR3 P22607 3/20 0.45
KDR P35968 2/20 0.45
JAK2 O60674 1/20 0.45
CHEK1 O14757 6/20 0.43
CDK7 P50613 5/20 0.43
PDPK1 O15530 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PARP1 P09874 2/20 0.41

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
SCHEMBL10280194 0.92 FGFR1 (0.54) FGFR1FGFR2FGFR3KDRJAK2
SCHEMBL10240066 0.89 FGFR1 (0.41) FGFR1CHEK1CDK7HDAC6KDM4E
SCHEMBL28498762 0.87 FGFR1 (0.54) FGFR1FGFR2FGFR3KDRHDAC3
SCHEMBL30060858 0.87 FGFR1 (0.54) FGFR1FGFR2FGFR3KDRHDAC3
SCHEMBL11037651 0.85 PARP1 (0.52) FGFR1FGFR2FGFR3KDRJAK2
SCHEMBL12027286 0.85 FGFR1 (0.45) FGFR1FGFR2FGFR3KDRJAK2
SCHEMBL11888560 0.85 FGFR1 (0.43) FGFR1FGFR2FGFR3KDRJAK2
SCHEMBL30061324 0.84 SMN1; SMN2 (0.44) FGFR1FGFR2FGFR3KDRJAK2
SCHEMBL545872 0.84 SMN1; SMN2 (0.44) FGFR1FGFR2FGFR3KDRJAK2
SCHEMBL12027216 0.83 AURKA (0.48) FGFR1FGFR2FGFR3KDRJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120190673-A1 PYRAZOLE COMPOUNDS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2012-07-26 US claimed
EP-2395000-A1 Benzimidazole compounds that modulate the activity of CDK, GSK and aurora kinases Astex Therapeutics Limited (GB) 2011-12-14 EP claimed
US-20100055094-A1 PHARMACEUTICAL COMBINATIONS OF 1-CYCLOPROPYL-3- [3-(5-M0RPHOOLIN-4-YL-METHYL-1H-BENZOIMIDAZOL-2-YL)- LH-1-PYRAZOL-4-YL]- UREA ASTEX THERAPEUTICS LIMITED (GB) 2010-03-04 US claimed
US-20100004232-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (UK) 2010-01-07 US claimed
EP-2073807-A1 PHARMACEUTICAL COMBINATIONS Astex Therapeutics Limited (GB) 2009-07-01 EP claimed
EP-2049119-A2 PHARMACEUTICAL COMBINATIONS OF 1-CYCLOPROPYL-3-[3-(5-MORPHOOLIN-4-YLMETHYL-1H-BENZOIMIDAZOL-2-YL)-1H-1-PYRAZOL-4-YL]-UREA Astex Therapeutics Limited (GB) 2009-04-22 EP claimed
EP-2043635-A2 PHARMACEUTICAL COMBINATIONS Astex Therapeutics Limited (GB) 2009-04-08 EP claimed
US-20080132495-A1 Pyrazole Compounds that Modulate the Activity of Cdk, Gsk and Aurora Kinases ASTEX THERAPEUTICS LIMITED (GB) 2008-06-05 US claimed
WO-2008044045-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2008-04-17 WO claimed
WO-2008001101-A2 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2008-01-03 WO claimed
WO-2008001115-A2 PHARMACEUTICAL COMBINATIONS OF 1-CYCLOPROPYL-3- [3- (5-M0RPHOOLIN-4-YLMETHYL-1H-BENZOIMIDAZOL-2-YL) -LH-1-PYRAZOL- 4-YL] -UREA ASTEX THERAPEUTICS LIMITED (GB) 2008-01-03 WO claimed
EP-1833819-A1 PYRAZOLE COMPOUNDS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES Astex Therapeutics Limited (GB) 2007-09-19 EP claimed
WO-2006070195-A1 PYRAZOLE COMPOUNDS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2006-07-06 WO claimed
US-11654143-B2 Therapeutic combinations of a BTK inhibitor, a PI3K inhibitor, a JAK-2 inhibitor, and/or a BCL-2 inhibitor ACERTA PHARMA B.V. (NL) 2023-05-23 US disclosed
CN-112047932-B Pyrazole spleen tyrosine kinase inhibitor and preparation method and application thereof 中国药科大学 2022-11-08 CN disclosed
EP-3179992-B1 THERAPEUTIC COMBINATIONS OF A BTK INHIBITOR, A PD-1 INHIBITOR AND/OR A PD-L1 INHIBITOR ACERTA PHARMA BV (NL) 2022-05-11 EP disclosed
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUCTICS, LIMITED (US) 2007-06-14 US disclosed
WO-2006070195-A1 PYRAZOLE COMPOUNDS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2006-07-06 WO disclosed
EP-1648426-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2006-04-26 EP disclosed
WO-2005002552-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 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 (6 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-20100004232-A1 Pharmaceutical Compounds ERBB3, ABL1, RET FGFR1 106/4885FGFR2 82/4885FGFR3 31/4885
US-11654143-B2 Therapeutic combinations of a BTK inhibitor, a PI3K inhibitor, a JAK-2 inhibitor, and/or a BCL-2 inhibitor BTK, JAK2, BCL9 FGFR1 2326/4885FGFR2 717/4885FGFR3 1261/4885
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors CDK1, AURKA, CDK2 FGFR1 1202/4885FGFR2 1700/4885FGFR3 1750/4885
US-20120190673-A1 PYRAZOLE COMPOUNDS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES CDK3, CDK1, AURKA FGFR1 1912/4885FGFR2 3131/4885FGFR3 1880/4885
US-20080132495-A1 Pyrazole Compounds that Modulate the Activity of Cdk, Gsk and Aurora Kinases CDK3, CDK1, AURKA FGFR1 1912/4885FGFR2 3131/4885FGFR3 1880/4885
US-20100055094-A1 PHARMACEUTICAL COMBINATIONS OF 1-CYCLOPROPYL-3- [3-(5-M0RPHOOLIN-4-YL-METHYL-1H-BENZOIMIDAZOL-2-YL)- LH-1-PYRAZOL-4-YL]- UREA LDHA, LDHB, PDK4 FGFR1 1156/4885FGFR2 2889/4885FGFR3 1265/4885

“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.