SCHEMBL6071204

SCHEMBL6071204

O=C(NCCCN1CCOCC1)c1cccc2[nH]c3c(c12)CCc1cn[nH]c1-3

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 3/20 0.54
KDM5B Q9UGL1 1/20 0.51
POLB P06746 1/20 0.49
SMYD2 Q9NRG4 1/20 0.47
MAPK10 P53779 2/20 0.46
RIPK1 Q13546 2/20 0.46
KDM4E B2RXH2 3/20 0.46
BCL3 P20749 1/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PKM P14618 1/20 0.45

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
SCHEMBL6070893 0.84 MAPK10 (0.53) POLBMAPK10RIPK1KDM4EALDH1A1
SCHEMBL6071195 0.84 MAPK10 (0.53) SHMT2MAPK10RIPK1KDM4EALDH1A1
SCHEMBL6070597 0.82 MAPK10 (0.55) MAPK10RIPK1KDM4EALDH1A1
SCHEMBL6071568 0.81 MAPK10 (0.50) POLBMAPK10RIPK1KDM4EALDH1A1
SCHEMBL6071013 0.81 PARP1 (0.56) SHMT2KDM4EALDH1A1SMN1; SMN2
SCHEMBL6071696 0.81 SHMT2 (0.54) SHMT2KDM4EALDH1A1SMN1; SMN2
SCHEMBL14366594 0.81 SHMT2 (0.54) SHMT2KDM5BSMYD2ALDH1A1SMN1; SMN2
SCHEMBL6071003 0.80 MAPK10 (0.57) MAPK10RIPK1KDM4EALDH1A1
SCHEMBL6071491 0.78 MAPK10 (0.48) SHMT2MAPK10RIPK1KDM4EALDH1A1
Fumaric Acid SCHEMBL5583270 0.77 SHMT2 (0.50) SHMT2KDM5BPOLBSMYD2ALDH1A1

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 SHMT2 1517/4885KDM5B 2666/4885POLB 1184/4885

“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.