SCHEMBL4478439

SCHEMBL4478439

CC(C)(C)[Si](C)(C)n1ccc2cc(C#N)ccc21

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 8/20 0.43
CYP11B2 P19099 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
ENPP3 O14638 1/20 0.38
CYP2A6 P11509 1/20 0.36
HTR6 P50406 2/20 0.35
CYP19A1 P11511 2/20 0.35
CDK2 P24941 4/20 0.35
MAP3K14 Q99558 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.33
P2RX7 Q99572 1/20 0.33

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
SCHEMBL4481462 0.88 CDC7 (0.44) CDC7CYP11B2KDM4EALDH1A1GLA
SCHEMBL444893 0.76 SLC6A2 (0.42) CDC7ALDH1A1CYP2A6HTR6CDK2
SCHEMBL993855 0.76 KCNH2 (0.44) CYP11B2KDM4EALDH1A1
SCHEMBL15585702 0.72 SLC6A4 (0.34) CYP11B2KDM4EALDH1A1GLAGAA
SCHEMBL29499059 0.72 PRKCI (0.53) CDC7KDM4EALDH1A1GLAGAA
SCHEMBL3334605 0.72 CDK4 (0.39)
SCHEMBL1779268 0.72 PRKCI (0.53) CDC7KDM4EALDH1A1GLAGAA
SCHEMBL3709688 0.71 CDC7 (0.43) CDC7KDM4EALDH1A1GLAGAA
SCHEMBL3226889 0.68 CDC7 (0.50) CDC7KDM4EALDH1A1GLAGAA
SCHEMBL28871132 0.68 CDC7 (0.47) CDC7KDM4EALDH1A1GLAGAA

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 5 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
EP-1615898-A1 2-AMINOPYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE Novartis AG (CH) 2006-01-18 EP disclosed
WO-2004089913-A1 AMINOPYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE NOVARTIS AG (CH) 2004-10-21 WO 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 1109/4885CYP11B2 884/4885KDM4E 839/4885

“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.