SCHEMBL3880690

SCHEMBL3880690

CCCOC(=O)c1cc2c(o1)c(NC(=O)c1ccc(N3CCN(C)CC3)cc1)nn2C(=O)c1ccc(N2CCN(C)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
HSD17B10 Q99714 1/20 0.46
AURKA O14965 5/20 0.45
KIT P10721 7/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
FLT3 P36888 5/20 0.43
NTRK1 P04629 1/20 0.42
INSR P06213 1/20 0.42
IGF1R P08069 1/20 0.42
AURKB Q96GD4 1/20 0.42
ALK Q9UM73 1/20 0.42
HDAC3 O15379 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KDR P35968 1/20 0.41

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
SCHEMBL4083005 0.93 MAPT (0.44) MAPTHPGDTSHRTAAR1HSD17B10
SCHEMBL3880434 0.92 LRRK2 (0.47) MAPTHPGDAURKAKITMEN1
SCHEMBL4091205 0.86 LRRK2 (0.46) MAPTHPGDTSHRAURKAKIT
SCHEMBL3888747 0.85 LMNA (0.43) MAPTHPGDRAB9A
SCHEMBL4082722 0.83 RAB9A (0.43) MAPTTSHRKITMEN1KMT2A
SCHEMBL654864 0.79 SIRT6 (0.42) MAPTRAB9A
SCHEMBL4083876 0.79 KIT (0.45) KITMEN1KMT2AFLT3KDR
SCHEMBL4088637 0.78 ALDH1A1 (0.43) MAPTHPGDTSHRKMT2ANPC1
SCHEMBL4091779 0.78 LMNA (0.44) MAPTHPGDKMT2ARAB9A
SCHEMBL4088668 0.78 SMN1; SMN2 (0.54) MAPTTSHRKMT2ANPC1RAB9A

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 MAPT 2511/4885HPGD 1816/4885TSHR 3463/4885

“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.