SCHEMBL4697638

SCHEMBL4697638

CCCC(CCC)C(=O)Nc1ccc2c(Cc3ccc(C(=O)OC)cc3)n[nH]c(=O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 15/20 0.48
ENPP1 P22413 2/20 0.46
HDAC1 Q13547 1/20 0.41
TNKS O95271 1/20 0.40
PARP14 Q460N5 1/20 0.40
PARP10 Q53GL7 1/20 0.40
TIPARP Q7Z3E1 1/20 0.40
PARP12 Q9H0J9 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL4700129 0.88 LMNA (0.51) PARP1ENPP1HDAC1
SCHEMBL4699220 0.85 PARP1 (0.60) PARP1ENPP1CYP3A4CYP2C9TSHR
SCHEMBL4702676 0.85 PARP1 (0.48) PARP1ENPP1HDAC1
SCHEMBL4704345 0.82 PARP1 (0.58) PARP1
SCHEMBL4699250 0.82 MAPT (0.53) PARP1ENPP1TNKSTNKS2
SCHEMBL4697402 0.81 PARP1 (0.57) PARP1
SCHEMBL4699801 0.80 MAPT (0.49) PARP1ENPP1CYP3A4CYP2C9CYP2C19
SCHEMBL4699720 0.80 PARP1 (0.53) PARP1ENPP1TNKSPARP14PARP10
SCHEMBL4700818 0.80 CYP3A4 (0.53) PARP1ENPP1CYP3A4CYP2C9TSHR
SCHEMBL4700454 0.79 MAPT (0.60) PARP1ENPP1HDAC1TNKSPARP14

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 1385/4885ENPP1 1105/4885HDAC1 608/4885
US-20050020583-A1 Amino-phthalazinone derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them MAP3K20, MAP3K1, MAP3K15 PARP1 1467/4885ENPP1 952/4885HDAC1 394/4885

“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.