SCHEMBL4812381

SCHEMBL4812381

CC(=O)Nc1ccc2c(c1)Cc1cnn(COCC[Si](C)(C)C)c1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
ADRA2A P08913 1/20 0.45
MAOA P21397 1/20 0.45
SLC6A2 P23975 1/20 0.45
HTR2C P28335 1/20 0.45
SLC6A4 P31645 1/20 0.45
HTR2B P41595 1/20 0.45
HSP90AA1 P07900 1/20 0.44
TLR9 Q9NR96 1/20 0.44
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.37
MAPT P10636 2/20 0.37
BAZ2B Q9UIF8 1/20 0.37
AAK1 Q2M2I8 1/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
TP53 P04637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL4810703 0.80 DGAT1 (0.42) CYP1A2HTR2CKMT2ATP53MEN1
SCHEMBL2962505 0.69 MAOA (0.84) CYP1A2ADRA2AMAOASLC6A2HTR2C
SCHEMBL26967787 0.68 MEN1 (0.37) CYP1A2MAPTKMT2ATP53ALDH1A1
SCHEMBL1593847 0.67 NOTUM (0.36) NPC1MAPT
SCHEMBL15311866 0.67 F11 (0.34) RAB9ANPC1MAPTKMT2ATP53
SCHEMBL15779031 0.64 NPC1 (0.40) ADRA2AMAOAHTR2CHTR2BNPC1
SCHEMBL24723914 0.64 NPC1 (0.41) RAB9ANPC1MAPTALDH1A1
2-Acetylaminofluorene SCHEMBL29829339 0.64 CYP1A2 (1.00) CYP1A2ADRA2AMAOASLC6A2HTR2C
2-Acetylaminofluorene SCHEMBL21114365 0.64 CYP1A2 (1.00) CYP1A2ADRA2AMAOASLC6A2HTR2C
2-Acetylaminofluorene SCHEMBL29364009 0.64 CYP1A2 (1.00) CYP1A2ADRA2AMAOASLC6A2HTR2C

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-7320986-B2 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBOTT LABORTORIES (US) 2008-01-22 US disclosed
US-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBVIE INC. 2004-12-23 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-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors TK1, MAP3K19, MAP3K20 CYP1A2 3869/4885ADRA2A 4476/4885MAOA 3621/4885

“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.