SCHEMBL981626

SCHEMBL981626

COc1ccc(-c2ccc[c]c2C(N)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.49
SRC P12931 1/20 0.49
FGFR2 P21802 1/20 0.49
FGFR4 P22455 1/20 0.49
FGFR3 P22607 1/20 0.49
PARP10 Q53GL7 2/20 0.46
PARP1 P09874 2/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
PARP4 Q9UKK3 1/20 0.46
HDAC4 P56524 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
ABL1 P00519 1/20 0.42
ABCB1 P08183 1/20 0.42
BCR P11274 1/20 0.42
CHEK2 O96017 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
BACE1 P56817 2/20 0.42

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
SCHEMBL7820684 0.85 KDM4E (0.51) CA1CA2HDAC4HDAC2HDAC8
SCHEMBL978717 0.84 PARP10 (0.50) PARP10CHEK2BACE1KDM4ECYP1A2
SCHEMBL3091864 0.84 PARP1 (0.49) PARP1HDAC4HDAC8CHEK2IKBKB
SCHEMBL3656937 0.84 PARP10 (0.50) PARP10PARP2PARP4CHEK2SMN1; SMN2
SCHEMBL3081965 0.83 MKNK1 (0.40) PARP1IKBKBGRM2MAPTTSHR
SCHEMBL980742 0.82 ALDH1A1 (0.44) PARP1CHEK2KDM4ECYP1A2CYP2C9
SCHEMBL2636302 0.80 BCAT2 (0.53) FGFR1SRCFGFR2FGFR4FGFR3
SCHEMBL3664103 0.80 HDAC4 (0.50) PARP1CA1CA2HDAC4HDAC2
SCHEMBL3657940 0.80 CYP3A4 (0.44) PARP1CA1CA2SMN1; SMN2KDM4E
SCHEMBL3462201 0.80 GRM2 (0.41) FGFR1FGFR3CHEK2IKBKBMAP4K4

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919875-A2 PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS Astex Therapeutics Limited (GB) 2008-05-14 EP claimed
WO-2006136829-A2 PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2006-12-28 WO claimed
US-20060276453-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 US claimed
US-8642788-B2 Activators of executioner procaspases 3, 6 and 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-04 US disclosed
US-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-27 US disclosed
EP-2237784-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 The Regents of the University of California (US) 2010-10-13 EP disclosed
US-7790712-B2 Substituted [1,4]diazepino[1,2-A]indoles and azepino[1,2-A]indoles as anti-cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICAL, INC. (US) 2010-09-07 US disclosed
WO-2009089508-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-07-16 WO disclosed
EP-1919875-A2 PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS Astex Therapeutics Limited (GB) 2008-05-14 EP disclosed
WO-2006136829-A2 PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2006-12-28 WO disclosed
US-20060276453-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 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 (2 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-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 CASP7, CASP3, CASP6 FGFR1 4819/4885SRC 2158/4885FGFR2 4803/4885
US-20060276453-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 FGFR1 855/4885SRC 1106/4885FGFR2 1231/4885

“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.