SCHEMBL3049519

SCHEMBL3049519

CC(C)(C)[Si](C)(C)OCC1(c2ccc(Br)cc2)CCC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TOP2A P11388 3/20 0.31
TAAR1 Q96RJ0 1/20 0.31
S1PR1 P21453 1/20 0.31
SLC6A4 P31645 3/20 0.30
SLC6A3 Q01959 2/20 0.30
SLC6A2 P23975 1/20 0.30
TACR1 P25103 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL8708156 0.83 PREP (0.39) POLBSLC6A4SLC6A3SLC6A2
SCHEMBL2325066 0.79 CHRM2 (0.37) CHRM2CHRM1ALDH1A1LMNAPOLB
SCHEMBL16306896 0.77 TACR1 (0.33) ALDH1A1SMN1; SMN2TOP2ASLC6A4SLC6A3
SCHEMBL12111823 0.77 KDM4E (0.40) ALDH1A1TOP2ATAAR1
SCHEMBL2636513 0.76 CHRM2 (0.40) CHRM2CHRM1ALDH1A1LMNAPOLB
SCHEMBL2636511 0.73 CHRM2 (0.44) CHRM2CHRM1ALDH1A1LMNAPOLB
SCHEMBL31292218 0.73
SCHEMBL5369342 0.72 SLC6A4 (0.38) SLC6A4SLC6A3SLC6A2TACR1KCNH2
SCHEMBL5357598 0.72 TACR1 (0.54) SLC6A4TACR1KCNH2
SCHEMBL20512871 0.72 KDM4C (0.35) CHRM2CHRM1ALDH1A1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2393811-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDIN-5(6H)-ONE DERIVATIVES Pfizer Inc. (US) 2011-12-14 EP disclosed
WO-2010089686-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDIN-5(6H)-ONE DERIVATIVES PFIZER INC. (US) 2010-08-12 WO disclosed
US-20100197591-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES PFIZER INC 2010-08-05 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-20100197591-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES CDK7, DPYD, DHFR CHRM2 3712/4885CHRM1 2388/4885ALDH1A1 61/4885

“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.