SCHEMBL6071049

SCHEMBL6071049

O=C(NCCc1c[nH]cn1)c1cccc2[nH]c3c(ccc4cn[nH]c43)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
PRMT5 O14744 1/20 0.35
PLK4 O00444 1/20 0.34
CHEK1 O14757 1/20 0.34
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34
MAP4K4 O95819 1/20 0.34
CSF1R P07333 1/20 0.34
RET P07949 1/20 0.34
FGFR1 P11362 1/20 0.34
PDGFRA P16234 1/20 0.34
LTK P29376 1/20 0.34
KDR P35968 1/20 0.34
MAP2K2 P36507 1/20 0.34
FLT3 P36888 1/20 0.34
CSNK1A1 P48729 1/20 0.34
PRKX P51817 1/20 0.34
CDK5 Q00535 1/20 0.34
MAP2K1 Q02750 1/20 0.34

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
SCHEMBL6071257 0.81 ROCK2 (0.39) HDAC3HDAC1
SCHEMBL6071298 0.81 HDAC1 (0.47) HDAC3HDAC1PRMT5PLK4CHEK1
SCHEMBL6070991 0.81 KDM4E (0.39) HDAC3HDAC1METTL3
SCHEMBL6070823 0.79 HDAC3 (0.42) HDAC3HDAC1PRMT5PLK4CHEK1
SCHEMBL6071459 0.79 RAD52 (0.44) HDAC3HDAC1MEN1KMT2A
SCHEMBL6070184 0.77 NPC1 (0.38) HDAC3HDAC1PRMT5PLK4CHEK1
SCHEMBL6071016 0.76 MAPK1 (0.44) KDRMETTL3
SCHEMBL6071129 0.76 SMYD2 (0.55) MEN1KMT2A
SCHEMBL6071491 0.75 MAPK10 (0.48) AURKAKDRMEN1KMT2A
SCHEMBL6071024 0.75 HPGD (0.50) MEN1KMT2A

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 HDAC3 980/4885HDAC1 616/4885PRMT5 1532/4885

“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.