SCHEMBL4697385

SCHEMBL4697385

CC(=O)Nc1ccc2c(Cc3ccncc3)n[nH]c(=O)c2c1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 14/20 0.64
TSHR P16473 1/20 0.54
CYP17A1 P05093 1/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
ENPP1 P22413 2/20 0.45
AR P10275 1/20 0.45
POLB P06746 1/20 0.45
CCNC P24863 1/20 0.44
CDK8 P49336 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
SCHEMBL4702185 0.92 PARP1 (0.60) PARP1TSHRCYP17A1CYP11B1CYP11B2
SCHEMBL4698922 0.85 PARP1 (0.66) PARP1ENPP1AR
Hydrochloric Acid SCHEMBL905525 0.84 PARP1 (0.64) PARP1ENPP1AR
SCHEMBL12955553 0.81 PARP1 (0.76) PARP1TSHRENPP1AR
SCHEMBL6607498 0.78 TSHR (0.56) TSHRCYP17A1CYP11B1CYP11B2POLB
Hydrochloric Acid SCHEMBL6607437 0.78 TSHR (0.56) TSHRCYP17A1CYP11B1CYP11B2POLB
SCHEMBL4702188 0.77 PARP1 (0.46) PARP1ENPP1AR
SCHEMBL4701253 0.76 PARP1 (0.64) PARP1TSHRENPP1
SCHEMBL5555992 0.76 PARP1 (0.54) PARP1TSHRENPP1AR
SCHEMBL6608381 0.76 PARP1 (0.54) PARP1TSHRENPP1AR

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
CN-101085759-A Amino-phthalazinone derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them PHARMACIA ITALIA SPA (IT) 2007-12-12 CN 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
CN-1538960-A Amino-2, 3-naphthyridinone derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them 2004-10-20 CN 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
CN-101085759-A Amino-phthalazinone derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them PHARMACIA ITALIA SPA (IT) 2007-12-12 CN 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
CN-1538960-A Amino-2, 3-naphthyridinone derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them 2004-10-20 CN 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 1385/4885TSHR 4462/4885CYP17A1 4099/4885
US-20050020583-A1 Amino-phthalazinone derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them MAP3K20, MAP3K1, MAP3K15 PARP1 1467/4885TSHR 4307/4885CYP17A1 3207/4885

“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.