SCHEMBL4698084

SCHEMBL4698084

CCCc1n[nH]c(=O)c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc12

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.55
MAPT P10636 4/20 0.48
PARP1 P09874 2/20 0.47
TNKS O95271 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47
LMNA P02545 2/20 0.46
KMT2A Q03164 2/20 0.46
PKM P14618 1/20 0.46
TRPV1 Q8NER1 2/20 0.45
AURKB Q96GD4 1/20 0.45
TRPA1 O75762 2/20 0.44
ESR1 P03372 1/20 0.44
XBP1 P17861 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL4700540 0.90 MAPT (0.47) MCHR1MAPTPARP1TNKSTNKS2
SCHEMBL4702139 0.85 PARP1 (0.50) MCHR1MAPTPARP1TNKSTNKS2
SCHEMBL4698562 0.84 AURKB (0.59) MAPTPARP1LMNAKMT2APKM
SCHEMBL4699720 0.82 PARP1 (0.53) MAPTPARP1TNKSTNKS2AURKB
SCHEMBL4700116 0.82 PARP1 (0.57) MAPTPARP1TNKSTNKS2LMNA
SCHEMBL4698386 0.82 PARP1 (0.54) PARP1TNKSTNKS2
SCHEMBL4697701 0.82 MAPT (0.49) MAPTPARP1LMNAKMT2APKM
SCHEMBL4702023 0.81 AR (0.60) MAPTPARP1TNKSTNKS2LMNA
SCHEMBL4697702 0.81 PARP1 (0.51) MAPTPARP1TNKSTNKS2TRPV1
SCHEMBL4698078 0.81 PARP1 (0.57) PARP1TNKSTNKS2

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 12 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
EP-1427708-A1 AMINO-PHTHALAZINONE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Pharmacia Italia S.p.A. (IT) 2004-06-16 EP 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
WO-2003014090-A1 AMINO-PHTHALAZINONE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO 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
EP-1427708-A1 AMINO-PHTHALAZINONE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Pharmacia Italia S.p.A. (IT) 2004-06-16 EP 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
WO-2003014090-A1 AMINO-PHTHALAZINONE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 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-20030073692-A1 Amino-phthalazinone derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them MAP3K20, MAP3K15, MAP3K5 MCHR1 4724/4885MAPT 73/4885PARP1 1385/4885
US-20050020583-A1 Amino-phthalazinone derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them MAP3K20, MAP3K1, MAP3K15 MCHR1 4587/4885MAPT 140/4885PARP1 1467/4885

“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.