SCHEMBL4697197

SCHEMBL4697197

CCC(=O)Nc1ccc2c(CCCc3ccccc3)n[nH]c(=O)c2c1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 13/20 0.62
AURKA O14965 1/20 0.47
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.44
PDE10A Q9Y233 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL4697778 0.85 ALDH1A1 (0.51) PARP1KMT2AHDAC6
SCHEMBL4700074 0.85 PARP1 (0.58) PARP1KDM4EPOLBKMT2APDE10A
SCHEMBL4698395 0.83 PARP1 (0.51) PARP1KMT2A
SCHEMBL4697228 0.82 AURKB (0.47) PARP1KDM4EKMT2AHDAC6
SCHEMBL4699021 0.82 MEN1 (0.52) PARP1KMT2A
SCHEMBL4699321 0.81 PARP1 (0.54) PARP1KDM4EKMT2APDE10A
SCHEMBL4698713 0.81 PARP1 (0.66) PARP1
SCHEMBL4702139 0.80 PARP1 (0.50) PARP1
SCHEMBL4697599 0.80 PARP1 (0.74) PARP1
SCHEMBL4699049 0.80 NPC1 (0.49) PARP1KDM4EPOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432263-B2 Amino-phthalazinone derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them PFIZER ITALIA, S.R.L. (IT) 2008-10-07 US claimed
EP-1427708-B1 AMINO-PHTHALAZINONE DERIVATIVES AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PFIZER ITALIA SRL (IT) 2008-09-10 EP claimed
US-20050020583-A1 Amino-phthalazinone derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them PFIZER ITALIA S.R.L. (IT) 2005-01-27 US claimed
US-20030073692-A1 Amino-phthalazinone derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them PHARMACIA & UPJOHN S.P.A. (IT) 2003-04-17 US claimed
US-7432263-B2 Amino-phthalazinone derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them PFIZER ITALIA, S.R.L. (IT) 2008-10-07 US disclosed
EP-1427708-B1 AMINO-PHTHALAZINONE DERIVATIVES AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PFIZER ITALIA SRL (IT) 2008-09-10 EP disclosed
US-20050020583-A1 Amino-phthalazinone derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them PFIZER ITALIA S.R.L. (IT) 2005-01-27 US disclosed
US-20030073692-A1 Amino-phthalazinone derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them PHARMACIA & UPJOHN S.P.A. (IT) 2003-04-17 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-20030073692-A1 Amino-phthalazinone derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them MAP3K20, MAP3K15, MAP3K5 PARP1 1385/4885AURKA 52/4885KDM4E 779/4885
US-20050020583-A1 Amino-phthalazinone derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them MAP3K20, MAP3K1, MAP3K15 PARP1 1467/4885AURKA 27/4885KDM4E 710/4885

“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.