SCHEMBL5449478

SCHEMBL5449478

O=C(Nc1[nH]nc2c1CN(c1ccnc(N3CCC(CO)CC3)n1)C2)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 7/20 0.45
CYP3A4 P08684 1/20 0.45
SOAT1 P35610 1/20 0.45
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PAK4 O96013 1/20 0.39
PRKCB P05771 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
SCN9A Q15858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
KMT2A Q03164 1/20 0.36
FABP1 P07148 1/20 0.36

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
SCHEMBL5451964 0.91 POLB (0.41) DGAT1CYP3A4SOAT1POLBNPSR1
SCHEMBL5451912 0.89 ACHE (0.41) DGAT1CYP3A4SOAT1PAK4PRKCB
SCHEMBL5448161 0.88 NPC1 (0.49) DGAT1CYP3A4SOAT1NPC1RAB9A
SCHEMBL5451386 0.88 FLT3 (0.43) PAK4PRKCBNPC1RAB9ASMN1; SMN2
SCHEMBL5449475 0.88 DGAT1 (0.46) DGAT1CYP3A4SOAT1POLBNPSR1
SCHEMBL6236756 0.87 POLB (0.37) DGAT1CYP3A4SOAT1POLBNPSR1
SCHEMBL5451831 0.83 CDK2 (0.42) POLBNPSR1SCN9ASMN1; SMN2HTT
SCHEMBL5449453 0.83 NPC1 (0.43) DGAT1CYP3A4SOAT1PRKCBNPC1
SCHEMBL5448086 0.82 NPC1 (0.43) DGAT1CYP3A4SOAT1POLBNPC1
SCHEMBL5454768 0.81 FLT3 (0.41) DGAT1CYP3A4SOAT1PAK4PRKCB

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 DGAT1 4416/4885CYP3A4 2904/4885SOAT1 4171/4885

“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.