SCHEMBL1377925

SCHEMBL1377925

CO[C@@H](C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCCCC4)cc3)c2C1)c1ccccc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 19/20 0.86
CDK2 P24941 9/20 0.86
AURKB Q96GD4 8/20 0.86
ABL1 P00519 4/20 0.86
NTRK1 P04629 3/20 0.86
RET P07949 3/20 0.86
FGFR1 P11362 3/20 0.86
LIMK1 P53667 3/20 0.86
BCR P11274 3/20 0.86
PLK4 O00444 2/20 0.86
JAK2 O60674 2/20 0.86
MAP4K4 O95819 2/20 0.86
LCK P06239 2/20 0.86
FYN P06241 2/20 0.86
FES P07332 2/20 0.86
LYN P07948 2/20 0.86
SRC P12931 2/20 0.86
PHKG2 P15735 2/20 0.86
FER P16591 2/20 0.86
MARK3 P27448 2/20 0.86

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
SCHEMBL9998664 1.00 AURKA (0.86) AURKACDK2AURKBABL1NTRK1
SCHEMBL26184014 0.93 AURKA (0.86) AURKACDK2AURKBABL1NTRK1
SCHEMBL25277403 0.93 AURKA (0.86) AURKACDK2AURKBABL1NTRK1
Danusertib SCHEMBL2685432 0.92 AURKA (1.00) AURKACDK2AURKBABL1NTRK1
Danusertib SCHEMBL466509 0.92 AURKA (1.00) AURKACDK2AURKBABL1NTRK1
SCHEMBL1379851 0.92 AURKA (0.85) AURKACDK2AURKBABL1NTRK1
Danusertib SCHEMBL29453494 0.92 AURKA (0.98) AURKACDK2AURKBABL1NTRK1
SCHEMBL1377947 0.91 AURKA (0.85) AURKACDK2AURKBABL1NTRK1
SCHEMBL3486691 0.91 AURKA (0.85) AURKACDK2AURKBABL1NTRK1
SCHEMBL3486749 0.91 AURKA (0.85) AURKACDK2AURKBABL1NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084455-B2 Use of a kinase inhibitor for the treatment of particular resistant tumors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-12-27 US claimed
JP-4728232-B2 2011-07-20 JP claimed
EP-1644376-B1 PYRROLO 3,4-c PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2010-09-08 EP claimed
US-20100035876-A1 Use of a Kinase Inhibitor for the Treatment of Particular Resistant Tumors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-02-11 US claimed
US-20100004359-A1 POLYMERIZED (SUBSTITUTED IMIDAZOLIUM) FOR IMPROVED HANDLING PROPERTIES IN SILICA-REINFORCED RUBBER COMPOUNDS BRIDGESTONE CORPORATION (JP) 2010-01-07 US claimed
JP-2009513525-A 2009-04-02 JP claimed
EP-2004180-A2 USE OF A KINASE INHIBITOR FOR THE TREATMENT OF PARTICULAR RESISTANT TUMORS Nerviano Medical Sciences S.r.l. (IT) 2008-12-24 EP claimed
WO-2007113212-A2 USE OF A KINASE INHIBITOR FOR THE TREATMENT OF PARTICULAR RESISTANT TUMORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-10-11 WO claimed
US-7141568-B2 Pyrrolo[3,4-c]pyrazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2006-11-28 US claimed
EP-1644376-A1 PYRROLO 3,4-c PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2006-04-12 EP claimed
US-20050032839-A1 Pyrrolo[3,4-c]pyrazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PHARMACIA ITALIA S.P.A. (IT) 2005-02-10 US claimed
WO-2005005427-A1 PYRROLO[3,4-c]PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2005-01-20 WO claimed
US-8084455-B2 Use of a kinase inhibitor for the treatment of particular resistant tumors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-12-27 US disclosed
EP-1644376-B1 PYRROLO 3,4-c PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2010-09-08 EP disclosed
US-20100035876-A1 Use of a Kinase Inhibitor for the Treatment of Particular Resistant Tumors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-02-11 US disclosed
US-20100004359-A1 POLYMERIZED (SUBSTITUTED IMIDAZOLIUM) FOR IMPROVED HANDLING PROPERTIES IN SILICA-REINFORCED RUBBER COMPOUNDS BRIDGESTONE CORPORATION (JP) 2010-01-07 US disclosed
US-7141568-B2 Pyrrolo[3,4-c]pyrazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2006-11-28 US disclosed
EP-1644376-A1 PYRROLO 3,4-c PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2006-04-12 EP disclosed
US-20050032839-A1 Pyrrolo[3,4-c]pyrazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PHARMACIA ITALIA S.P.A. (IT) 2005-02-10 US disclosed
WO-2005005427-A1 PYRROLO[3,4-c]PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2005-01-20 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 (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-20050032839-A1 Pyrrolo[3,4-c]pyrazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K3, MAP3K19, MAP3K9 AURKA 350/4885CDK2 113/4885AURKB 440/4885
US-20100035876-A1 Use of a Kinase Inhibitor for the Treatment of Particular Resistant Tumors ABL1, LTK, ABL2 AURKA 281/4885CDK2 454/4885AURKB 316/4885

“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.