SCHEMBL5472736

SCHEMBL5472736

CC(C)(C)[Si](C)(C)OC1COc2ccccc2N(C(=O)OCc2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 5/20 0.44
P2RX1 P51575 1/20 0.44
P2RX3 P56373 1/20 0.44
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
CACNA1G O43497 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNA1I Q9P0X4 1/20 0.38
HTR2C P28335 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 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
SCHEMBL8541759 0.80 HPGD (0.43) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL14936417 0.78 MEN1 (0.50) NPC1RAB9ASMN1; SMN2HTR2CNPSR1
SCHEMBL1870753 0.76 MEN1 (0.48) NPC1RAB9ASMN1; SMN2HTR2CNPSR1
SCHEMBL22836694 0.75 SMN1; SMN2 (0.61) NPC1RAB9ASMN1; SMN2NPSR1MEN1
SCHEMBL2172191 0.74 NPC1 (0.50) P2RX4P2RX1P2RX3NPC1RAB9A
SCHEMBL2172195 0.74 NPC1 (0.50) P2RX4P2RX1P2RX3NPC1RAB9A
SCHEMBL29359671 0.74 PARP1 (0.41) NPC1RAB9ASMN1; SMN2HTR2CNPSR1
SCHEMBL4160075 0.73 CTRB1 (0.38) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL7488827 0.73 POLB (0.43) NPC1RAB9ASMN1; SMN2HTR2CPDK1
SCHEMBL1879731 0.73 MEN1 (0.44) NPC1RAB9ASMN1; SMN2HTR2CNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
EP-1657238-A1 FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-05-17 EP 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-20070010537-A1 Fused pyramidine derivative and use thereof NR5A1, GNRHR, RXFP3 P2RX4 2397/4885P2RX1 1866/4885P2RX3 949/4885

“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.