SCHEMBL5451964

SCHEMBL5451964

CC1CCN(c2nccc(N3Cc4n[nH]c(NC(=O)c5cccc(Oc6ccccc6)c5)c4C3)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
DGAT1 O75907 3/20 0.41
MAPT P10636 1/20 0.41
CYP3A4 P08684 1/20 0.41
SOAT1 P35610 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PRKCB P05771 2/20 0.38
ACHE P22303 1/20 0.37
KMT2A Q03164 2/20 0.37
P2RX3 P56373 1/20 0.37
MEN1 O00255 1/20 0.37
GCK P35557 1/20 0.37
SCN9A Q15858 1/20 0.37
PAK4 O96013 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL5449478 0.91 DGAT1 (0.45) POLBNPSR1DGAT1CYP3A4SOAT1
SCHEMBL5451386 0.91 FLT3 (0.43) MAPTNPC1RAB9ASMN1; SMN2PRKCB
SCHEMBL5448161 0.89 NPC1 (0.49) DGAT1MAPTCYP3A4SOAT1NPC1
SCHEMBL5451912 0.87 ACHE (0.41) DGAT1MAPTCYP3A4SOAT1NPC1
SCHEMBL5451968 0.87 PRKCB (0.44) POLBNPSR1DGAT1MAPTCYP3A4
SCHEMBL5449453 0.84 NPC1 (0.43) DGAT1CYP3A4SOAT1NPC1RAB9A
SCHEMBL5454768 0.83 FLT3 (0.41) DGAT1CYP3A4SOAT1NPC1RAB9A
SCHEMBL5448086 0.83 NPC1 (0.43) POLBDGAT1CYP3A4SOAT1NPC1
SCHEMBL5453832 0.83 ALDH1A1 (0.43) POLBACHEKDM4E
SCHEMBL5459485 0.82 IDH1 (0.43) NPC1RAB9ASMN1; SMN2KMT2AP2RX3

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-20070037790-A1 Bicyclo-pyrazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2007-02-15 US claimed
US-20070037790-A1 Bicyclo-pyrazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2007-02-15 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-20070037790-A1 Bicyclo-pyrazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K15, MAP3K7, MAP3K19 POLB 611/4885NPSR1 4660/4885DGAT1 4416/4885

“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.