SCHEMBL4697569

SCHEMBL4697569

N#Cc1ccccc1-n1cc(C=O)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.52
KDM4E B2RXH2 2/20 0.52
IMPDH2 P12268 2/20 0.47
HTR7 P34969 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.43
HTT P42858 3/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 2/20 0.43
HTR3A P46098 1/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
UBE2N P61088 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
GALR3 O60755 1/20 0.38
RAB9A P51151 1/20 0.38
STAT3 P40763 1/20 0.38

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
SCHEMBL15565198 0.86 HTR7 (0.40) ALDH1A1KDM4EIMPDH2HTR7SMN1; SMN2
SCHEMBL9445904 0.80 TSHR (0.39) ALDH1A1KDM4EIMPDH2HTR7MAPT
SCHEMBL5769285 0.77 ALDH1A1 (0.56) ALDH1A1KDM4EIMPDH2SMN1; SMN2HTT
SCHEMBL12627927 0.77 ALDH1A1 (0.56) ALDH1A1KDM4EIMPDH2SMN1; SMN2HTT
SCHEMBL5172861 0.77 ALDH1A1 (0.68) ALDH1A1KDM4EIMPDH2SMN1; SMN2HTT
SCHEMBL17176324 0.74 ALDH1A1 (0.63) ALDH1A1KDM4EIMPDH2HTR7SMN1; SMN2
SCHEMBL13835498 0.74 IMPDH2 (0.42) ALDH1A1KDM4EIMPDH2HTR7SMN1; SMN2
SCHEMBL9412272 0.73 ALDH1A1 (0.78) ALDH1A1KDM4EIMPDH2HTR7SMN1; SMN2
SCHEMBL13964662 0.71 IMPDH2 (0.46) ALDH1A1IMPDH2HTR7SMN1; SMN2HTT
SCHEMBL17170720 0.71 TSHR (0.67) ALDH1A1KDM4EIMPDH2HTR7SMN1; 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 4 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 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-20060264493-A1 Tetracyclic pyrazole derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2006-11-23 US 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

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-20060264493-A1 Tetracyclic pyrazole derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K1, MAP3K19, MAP3K20 ALDH1A1 4446/4885KDM4E 1799/4885IMPDH2 2717/4885
US-20050020583-A1 Amino-phthalazinone derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them MAP3K20, MAP3K1, MAP3K15 ALDH1A1 3566/4885KDM4E 710/4885IMPDH2 2249/4885

“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.