SCHEMBL4697622

SCHEMBL4697622

O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc2c(Cc3ccc(Cl)c(F)c3)n[nH]c(=O)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 5/20 0.53
PARP1 P09874 9/20 0.52
PKM P14618 1/20 0.49
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDR P35968 3/20 0.46
NTRK1 P04629 2/20 0.46
NTRK2 Q16620 2/20 0.46
PLK4 O00444 1/20 0.46
AURKA O14965 1/20 0.46
ROCK2 O75116 1/20 0.46
CHEK2 O96017 1/20 0.46
EGFR P00533 1/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
CSF1R P07333 1/20 0.46
LYN P07948 1/20 0.46
KIT P10721 1/20 0.46
FLT1 P17948 1/20 0.46
EPHA2 P29317 1/20 0.46

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
SCHEMBL4700252 0.89 AURKB (0.56) AURKBPARP1PKMMAPTSMN1; SMN2
SCHEMBL4700082 0.88 PARP1 (0.57) AURKBPARP1PKMMAPTSMN1; SMN2
SCHEMBL4699791 0.87 SLC2A1 (0.47) AURKBPARP1
SCHEMBL4700064 0.86 PARP1 (0.58) AURKBPARP1TNKSTNKS2
SCHEMBL4700271 0.85 PARP1 (0.49) PARP1MAPTSMN1; SMN2KDRKMT2A
SCHEMBL4702668 0.85 MEN1 (0.53) PARP1MAPTROCK2KMT2A
SCHEMBL4700301 0.85 PARP1 (0.56) AURKBPARP1PKMMAPTSMN1; SMN2
SCHEMBL4701190 0.85 PARP1 (0.49) AURKBPARP1SMN1; SMN2KMT2ATNKS
SCHEMBL4700321 0.83 LMNA (0.55) AURKBPARP1PKMMAPTSMN1; SMN2
SCHEMBL4698453 0.83 AURKB (0.54) AURKBPARP1PKMMAPTSMN1; SMN2

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 13 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
EP-1416933-B1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM INC (US) 2008-01-02 EP claimed
US-6977264-B2 Substituted piperidines and methods of use AMGEN INC. (US) 2005-12-20 US 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-20040006067-A1 Substituted piperidines and methods of use AMGEN INC. 2004-01-08 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 (3 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 AURKB 180/4885PARP1 1385/4885PKM 257/4885
US-20050020583-A1 Amino-phthalazinone derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them MAP3K20, MAP3K1, MAP3K15 AURKB 115/4885PARP1 1467/4885PKM 175/4885
US-20040006067-A1 Substituted piperidines and methods of use MC4R, MC5R, MC1R AURKB 4820/4885PARP1 1908/4885PKM 1331/4885

“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.