SCHEMBL6071076

SCHEMBL6071076

O=C(NC1CCCc2ccccc21)c1ccc2[nH]c3c(c2c1)CCc1cn[nH]c1-3

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.53
ALDH1A1 P00352 6/20 0.52
LMNA P02545 4/20 0.52
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.51
TAS1R3 Q7RTX0 6/20 0.50
TAS1R1 Q7RTX1 6/20 0.50
TAS1R2 Q8TE23 3/20 0.49
POLB P06746 1/20 0.49
KDM4E B2RXH2 2/20 0.49
TSHR P16473 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
AURKA O14965 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
MAPK10 P53779 1/20 0.49
RIPK1 Q13546 1/20 0.49
PTK2B Q14289 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL6071458 0.83 MAPK10 (0.55) ALDH1A1LMNAKMT2AMEN1KDM4E
SCHEMBL6071141 0.82 MAPK10 (0.54) ALDH1A1LMNAKMT2AMEN1KDM4E
SCHEMBL14863655 0.79 HTT (0.60) HTTALDH1A1LMNAKMT2AMEN1
SCHEMBL14863654 0.79 HTT (0.60) HTTALDH1A1LMNAKMT2AMEN1
SCHEMBL6071166 0.79 ALDH1A1 (0.55) HTTALDH1A1LMNAKMT2AMEN1
SCHEMBL6070990 0.78 MAPK10 (0.58) ALDH1A1LMNAKMT2AMEN1KDM4E
SCHEMBL6071308 0.78 MAPK10 (0.63) ALDH1A1LMNAKMT2AMEN1KDM4E
SCHEMBL6071229 0.78 MAPK10 (0.65) ALDH1A1LMNAKMT2AMEN1KDM4E
SCHEMBL6071331 0.77 MAPK10 (0.60) ALDH1A1LMNAKMT2AMEN1KDM4E
SCHEMBL6071133 0.77 MAPK10 (0.56) ALDH1A1LMNAKMT2AMEN1KDM4E

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 1 patent. 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 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 HTT 1201/4885ALDH1A1 4446/4885LMNA 2808/4885

“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.