SCHEMBL3880434

SCHEMBL3880434

CCCOC(=O)c1cc2c(o1)c(NC(=O)c1ccc(N3CCOCC3)cc1)nn2C(=O)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 5/20 0.47
MAPT P10636 6/20 0.42
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
AURKA O14965 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CSNK1D P48730 1/20 0.41
KIT P10721 1/20 0.41
FLT3 P36888 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PKM P14618 2/20 0.41
ATM Q13315 1/20 0.41
TP53 P04637 1/20 0.41
HDAC8 Q9BY41 2/20 0.40

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
SCHEMBL4091205 0.93 LRRK2 (0.46) LRRK2MAPTMAPK1SMN1; SMN2ALDH1A1
SCHEMBL3880690 0.92 MAPT (0.46) MAPTHPGDAURKAMEN1KMT2A
SCHEMBL4083005 0.86 MAPT (0.44) MAPTSMN1; SMN2HPGDAURKAMEN1
SCHEMBL3888747 0.86 LMNA (0.43) MAPTMAPK1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL4088668 0.83 SMN1; SMN2 (0.54) MAPTMAPK1SMN1; SMN2KMT2ANPC1
SCHEMBL4088637 0.79 ALDH1A1 (0.43) MAPTSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL4091779 0.79 LMNA (0.44) MAPTSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL4078418 0.78 HTT (0.43) MAPTSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL4083518 0.78 LMNA (0.44) MAPTMAPK1SMN1; SMN2KDM4EMEN1
SCHEMBL4086291 0.78 MAPK1 (0.44) MAPTMAPK1SMN1; SMN2KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7485661-B2 Heterobicyclic pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2009-02-03 US disclosed
EP-1534716-B1 HETEROBICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-04-23 EP disclosed
US-20060160874-A1 Heterobicyclic pyrazole derivatives as kinase inhibitors PHARMACIA ITALIA S.P.A. (IT) 2006-07-20 US disclosed
EP-1534716-A1 HETEROBICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2005-06-01 EP disclosed
WO-2004007504-A1 HETEROBICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2004-01-22 WO 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-20060160874-A1 Heterobicyclic pyrazole derivatives as kinase inhibitors MAP2K2, MAP3K15, MAP3K5 LRRK2 536/4885MAPT 2511/4885MAPK1 146/4885

“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.