SCHEMBL6071129

SCHEMBL6071129

O=C(NCCCN1CCOCC1)c1cccc2[nH]c3c(ccc4cn[nH]c43)c12

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 2/20 0.55
KMT2A Q03164 3/20 0.48
POLB P06746 1/20 0.48
MEN1 O00255 1/20 0.47
RAD52 P43351 1/20 0.47
KDM5B Q9UGL1 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.47
BCL3 P20749 1/20 0.47
ALDH1A1 P00352 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
SCHEMBL6071298 0.82 HDAC1 (0.47) KMT2APOLBMEN1KDM4EALDH1A1
SCHEMBL6071238 0.82 PARP1 (0.55) SMYD2KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL6071474 0.82 SMYD2 (0.52) SMYD2KMT2AMEN1RAD52SMN1; SMN2
SCHEMBL6071459 0.80 RAD52 (0.44) KMT2APOLBMEN1RAD52KDM4E
SCHEMBL6070823 0.77 HDAC3 (0.42) SMN1; SMN2
SCHEMBL6071204 0.77 SHMT2 (0.54) SMYD2POLBKDM5BSMN1; SMN2KDM4E
SCHEMBL6071049 0.76 HDAC3 (0.38) KMT2AMEN1
SCHEMBL6070184 0.75 NPC1 (0.38) KMT2APOLBMEN1ALDH1A1
SCHEMBL6071024 0.75 HPGD (0.50) KMT2APOLBMEN1SMN1; SMN2KDM4E
SCHEMBL6071016 0.74 MAPK1 (0.44) POLBSMN1; 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 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 SMYD2 4154/4885KMT2A 2104/4885POLB 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.