SCHEMBL4485147

SCHEMBL4485147

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.39
CDK2 P24941 1/20 0.39
ROCK1 Q13464 1/20 0.39
MAP3K14 Q99558 1/20 0.39
KMO O15229 2/20 0.38
HTR7 P34969 1/20 0.36
PTPN1 P18031 1/20 0.36
OXER1 Q8TDS5 1/20 0.35
CYP11B2 P19099 1/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP19A1 P11511 3/20 0.34
BIRC5 O15392 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL4488558 0.80 HTR2C (0.42) CDC7CDK2ROCK1HTR7CYP11B2
SCHEMBL4504386 0.78 HTR2A (0.44) ROCK1HTR7CYP11B2RAB9AMEN1
SCHEMBL31142624 0.77 HTR6 (0.31) ALDH1A1HSD17B10
SCHEMBL29956945 0.76 CA1 (0.36)
SCHEMBL28675408 0.76 CA1 (0.36)
SCHEMBL3334605 0.75 CDK4 (0.39) BIRC5HTR2AHTR2C
SCHEMBL4490724 0.71 TFPI2 (0.38) RAB9AMAPTKMT2AKDM4EALDH1A1
SCHEMBL993855 0.70 KCNH2 (0.44) CYP11B2MAPTKDM4EALDH1A1HPGD
SCHEMBL30277740 0.69 CYP2A6 (0.53) CDC7CDK2ROCK1MAP3K14KMO
SCHEMBL1093444 0.69 CYP2A6 (0.53) CDC7CDK2ROCK1MAP3K14KMO

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 CDC7 1109/4885CDK2 77/4885ROCK1 3480/4885

“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.