SCHEMBL4699602

SCHEMBL4699602

O=C(CCC1CCCC1)Nc1ccc2c(Cc3cccnc3)n[nH]c(=O)c2c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.54
NCOA3 Q9Y6Q9 1/20 0.54
PARP1 P09874 9/20 0.51
LDLR P01130 2/20 0.49
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.43
MAPT P10636 3/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 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
SCHEMBL4698212 0.86 PARP1 (0.55) PARP1ALDH1A1KMT2AMAPTMEN1
SCHEMBL4699287 0.86 PARP1 (0.57) PARP1ALDH1A1KMT2AMAPTMEN1
SCHEMBL4700049 0.85 PARP1 (0.54) PARP1ALDH1A1KMT2AMAPTMEN1
SCHEMBL4698395 0.84 PARP1 (0.51) NCOA1NCOA3PARP1LDLRALDH1A1
SCHEMBL4700391 0.84 PARP1 (0.58) PARP1
SCHEMBL4698713 0.83 PARP1 (0.66) PARP1ALDH1A1MAPK1MAPTSMN1; SMN2
SCHEMBL4700145 0.83 PARP1 (0.48) PARP1ALDH1A1KMT2AMAPK1MAPT
SCHEMBL4700186 0.83 PARP1 (0.47) PARP1LDLRALDH1A1KMT2AMAPT
SCHEMBL4698512 0.82 PARP1 (0.49) PARP1ALDH1A1KMT2AMAPTMEN1
SCHEMBL4701794 0.82 PARP1 (0.49) PARP1LDLRALDH1A1KMT2AMAPK1

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 10 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
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 NCOA1 448/4885NCOA3 505/4885PARP1 1385/4885
US-20050020583-A1 Amino-phthalazinone derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them MAP3K20, MAP3K1, MAP3K15 NCOA1 508/4885NCOA3 972/4885PARP1 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.