SCHEMBL3842645

SCHEMBL3842645

CCN1CCN(c2ccc(-c3cc(-c4ccc(N)cc4)[nH]n3)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.62
RAD52 P43351 2/20 0.62
MAPT P10636 2/20 0.62
KDM4E B2RXH2 1/20 0.62
GFER P55789 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
MELK Q14680 1/20 0.60
FLT3 P36888 2/20 0.50
HDAC1 Q13547 1/20 0.50
PRKD1 Q15139 9/20 0.48
FGFR1 P11362 1/20 0.46
FGFR2 P21802 1/20 0.46
ALK Q9UM73 1/20 0.45
ACHE P22303 1/20 0.44
CHRNA7 P36544 1/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL3843474 0.82 ACHE (0.53) GAARAD52MAPTKDM4EGFER
SCHEMBL6152136 0.79 MAPT (1.00) GAARAD52MAPTKDM4EGFER
SCHEMBL158007 0.79 MAPT (1.00) GAARAD52MAPTKDM4EGFER
SCHEMBL12491621 0.78 RAB9A (0.64) MAPTSMN1; SMN2NPC1MAPK1RAB9A
SCHEMBL28977159 0.76 MELK (0.82) MAPTKDM4ESMN1; SMN2MELKFLT3
SCHEMBL28977167 0.75 MELK (0.70) MAPTSMN1; SMN2MELKFLT3PRKD1
SCHEMBL19951651 0.74 MELK (0.79) MELKFLT3PRKD1
SCHEMBL28903830 0.74 MAP4K1 (0.52) MAPTKDM4EMELKPRKD1FGFR1
SCHEMBL28977186 0.73 MELK (0.77) MELKPRKD1
SCHEMBL28977176 0.72 MELK (0.75) MAPTMELKFLT3PRKD1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710038-B2 Pyrazole kinase modulators and methods of use EXELIXIS, INC. (US) 2014-04-29 US disclosed
US-8710038-B2 Pyrazole kinase modulators and methods of use EXELIXIS, INC. (US) 2014-04-29 US disclosed
US-8710038-B2 Pyrazole kinase modulators and methods of use EXELIXIS, INC. (US) 2014-04-29 US disclosed
EP-1797072-A4 PYRAZOLE KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2009-09-09 EP disclosed
US-20070293507-A1 Pyrazole Kinase Modulators And Methods Of Use EXELIXIS, INC. (US) 2007-12-20 US disclosed
US-20070293507-A1 Pyrazole Kinase Modulators And Methods Of Use EXELIXIS, INC. (US) 2007-12-20 US disclosed
US-20070293507-A1 Pyrazole Kinase Modulators And Methods Of Use EXELIXIS, INC. (US) 2007-12-20 US disclosed
EP-1797072-A2 PYRAZOLE KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2007-06-20 EP disclosed
WO-2006033943-A2 PYRAZOLE KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC (US) 2006-03-30 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-20070293507-A1 Pyrazole Kinase Modulators And Methods Of Use MAP3K1, MAP3K3, MAP3K5 GAA 2413/4885RAD52 4395/4885MAPT 3472/4885

“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.