SCHEMBL4488558

SCHEMBL4488558

CC(C)(C)[Si](C)(C)n1ccc2ccc(F)cc21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.42
HTR2A P28223 3/20 0.42
CDC7 O00311 1/20 0.39
CDK2 P24941 1/20 0.39
ROCK1 Q13464 1/20 0.39
KCNH2 Q12809 1/20 0.38
HTR7 P34969 1/20 0.36
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
MAPT P10636 3/20 0.35
FABP4 P15090 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
CYP19A1 P11511 1/20 0.31
NR3C1 P04150 1/20 0.31
AR P10275 2/20 0.31
SCD O00767 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
SCHEMBL993855 0.87 KCNH2 (0.44) HTR2CHTR2AKCNH2CYP11B1CYP11B2
SCHEMBL4492821 0.81 CDC7 (0.44) CDC7CDK2KCNH2HTR7CYP11B1
SCHEMBL4504386 0.78 HTR2A (0.44) HTR2CHTR2AROCK1HTR7CYP11B1
SCHEMBL28675408 0.76 CA1 (0.36)
SCHEMBL29956945 0.76 CA1 (0.36)
SCHEMBL4481462 0.76 CDC7 (0.44) CDC7CDK2CYP11B2CYP19A1
SCHEMBL3334605 0.75 CDK4 (0.39) HTR2CHTR2ASLC6A2
SCHEMBL12544395 0.75 HTR2C (0.50) HTR2CHTR2ACDC7CDK2ROCK1
SCHEMBL29958009 0.75 HTR2C (0.50) HTR2CHTR2ACDC7CDK2ROCK1
SCHEMBL31142624 0.74 HTR6 (0.31)

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 HTR2C 3801/4885HTR2A 3876/4885CDC7 1109/4885

“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.