SCHEMBL6070511

SCHEMBL6070511

O=C(NCCNc1ccccc1)c1ccc2c(c1)[nH]c1c2ccc2cn[nH]c21

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.50
PARP1 P09874 1/20 0.43
ITK Q08881 2/20 0.43
ROCK2 O75116 6/20 0.43
HDAC1 Q13547 3/20 0.42
HDAC3 O15379 1/20 0.42
HDAC6 Q9UBN7 2/20 0.40
HDAC4 P56524 1/20 0.40
IMPDH2 P12268 1/20 0.40
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 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
SCHEMBL6070594 0.93 MAPK1 (0.54) MAPK1ITKROCK2HDAC1HDAC3
SCHEMBL6071239 0.82 KDM4E (0.47) ITKROCK2HDAC1HDAC3HDAC6
SCHEMBL6070823 0.81 HDAC3 (0.42) MAPK1ROCK2HDAC1HDAC3HPGD
SCHEMBL6071427 0.80 KDM4E (0.54) HDAC1HDAC3KDM4EALDH1A1HPGD
SCHEMBL6071757 0.78 ROCK2 (0.43) MAPK1ITKROCK2MAPTKDM4E
SCHEMBL6071257 0.78 ROCK2 (0.39) PARP1ITKROCK2HDAC1HDAC3
SCHEMBL6070463 0.78 IMPDH2 (0.54) MAPK1ITKROCK2IMPDH2MAPT
SCHEMBL6071299 0.78 ROCK2 (0.49) MAPK1PARP1ROCK2IMPDH2
SCHEMBL6070896 0.77 MAPT (0.54) MAPK1ROCK2MAPTKDM4EALDH1A1
SCHEMBL6075381 0.76 NHERF1 (0.42) ROCK2HDAC1HDAC3HDAC6MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 MAPK1 127/4885PARP1 840/4885ITK 517/4885

“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.