SCHEMBL4503124

SCHEMBL4503124

Cc1cccc2ccn(COCC[Si](C)(C)C)c12

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
DGAT1 O75907 4/20 0.39
PDE10A Q9Y233 5/20 0.37
P2RX7 Q99572 1/20 0.37
DUT P33316 1/20 0.34
KLKB1 P03952 1/20 0.33
CASR P41180 1/20 0.31
HCRTR2 O43614 1/20 0.31

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
SCHEMBL30018075 0.84 DGAT1 (0.38) DGAT1PDE10ADUT
SCHEMBL6030125 0.84 DGAT1 (0.40) DGAT1PDE10ADUT
SCHEMBL15823309 0.82 DGAT1 (0.34) DGAT1PDE10A
SCHEMBL15824847 0.81 DGAT1 (0.34) DGAT1PDE10A
SCHEMBL20159134 0.81 DGAT1 (0.37) DGAT1PDE10ADUTKLKB1
SCHEMBL29492554 0.78 CDK4 (0.49)
SCHEMBL1258087 0.78 CDK4 (0.49)
SCHEMBL1542347 0.77 NPC1 (0.38) DGAT1PDE10ACASR
SCHEMBL6028923 0.76 USP2 (0.35) DGAT1PDE10A
SCHEMBL5730300 0.76 DGAT1 (0.33) DGAT1PDE10ADUT

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-1615898-B1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2014-10-29 EP disclosed
US-7615562-B2 Such as 2-methyl-4-{5-[2-(2,2,6,6-tetramethyl-piperidin-4-ylamino)-pyrimidin-4-yl]-thiophen-2-yl}-butan-2-ol; tumor necrosis factor inhibitors; immunosuppressants; antiinflammatory agents NOVARTIS AG (CH) 2009-11-10 US disclosed
US-20070043048-A1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2007-02-22 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-20070043048-A1 2-Aminopyrimidine derivatives and their medical use TPMT, IKBKB, CHUK ADRA2A 2924/4885ADRA2B 2961/4885ADRA2C 2798/4885

“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.