SCHEMBL4702145

SCHEMBL4702145

O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc2c(Cc3cccnc3)n[nH]c(=O)c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.59
AURKB Q96GD4 4/20 0.54
PARP1 P09874 5/20 0.53
PKM P14618 1/20 0.51
KDR P35968 2/20 0.49
NAMPT P43490 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TRPV1 Q8NER1 1/20 0.48
MEN1 O00255 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
DDR1 Q08345 1/20 0.47
DDR2 Q16832 1/20 0.47
NTRK1 P04629 2/20 0.47
NTRK2 Q16620 2/20 0.47
PLK4 O00444 1/20 0.47
AURKA O14965 1/20 0.47
ROCK2 O75116 1/20 0.47
CHEK2 O96017 1/20 0.47
EGFR P00533 1/20 0.47

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
SCHEMBL4697231 0.89 PARP1 (0.53) MAPTPARP1SMN1; SMN2MEN1KMT2A
SCHEMBL4700082 0.87 PARP1 (0.57) MAPTAURKBPARP1PKMKDR
SCHEMBL4699324 0.86 HIF1A (0.55) MAPTPARP1MEN1TSHRKMT2A
SCHEMBL4700301 0.86 PARP1 (0.56) MAPTAURKBPARP1PKMKDR
SCHEMBL4700252 0.85 AURKB (0.56) MAPTAURKBPARP1PKMKDR
SCHEMBL4697590 0.84 KDR (0.55) MAPTAURKBPARP1PKMKDR
SCHEMBL4698551 0.84 PARP1 (0.50) PARP1NAMPTAURKA
SCHEMBL4697754 0.84 AURKB (0.54) MAPTAURKBPARP1PKMKDR
SCHEMBL4698369 0.84 GAA (0.59) MAPTPARP1KDRSMN1; SMN2MEN1
SCHEMBL4700250 0.84 AURKB (0.61) MAPTAURKBPARP1PKMKDR

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 MAPT 73/4885AURKB 180/4885PARP1 1385/4885
US-20050020583-A1 Amino-phthalazinone derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them MAP3K20, MAP3K1, MAP3K15 MAPT 140/4885AURKB 115/4885PARP1 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.